Etocarlide

Etocarlide

SCHEMBL7909424

CCOc1ccc(NC(=S)Nc2ccc(OCC)cc2)cc1.Cl.Cl.Cl.[Ti]

nearest known ligand 0.93

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Etocarlide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 5/20 0.81
MAPT P10636 7/20 0.93
L3MBTL1 Q9Y468 1/20 0.71
ALDH1A1 P00352 8/20 0.66
KDM4E B2RXH2 2/20 0.66
LMNA P02545 4/20 0.65
KMT2A Q03164 6/20 0.62
MEN1 O00255 4/20 0.62
POLB P06746 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
HTT P42858 2/20 0.62
NSD2 O96028 1/20 0.62
HPGD P15428 1/20 0.62
BLM P54132 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MPI P34949 1/20 0.61
CYP1A2 P05177 1/20 0.61
TDP1 Q9NUW8 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Etocarlide SCHEMBL8723901 1.00 MAPT (0.93) MAPTGAAL3MBTL1ALDH1A1KDM4E
Etocarlide SCHEMBL2151434 0.98 MAPT (0.96) MAPTGAAL3MBTL1ALDH1A1KDM4E
Etocarlide SCHEMBL8470224 0.98 MAPT (0.96) MAPTGAAL3MBTL1ALDH1A1KDM4E
Etocarlide SCHEMBL3292 0.98 MAPT (0.96) MAPTGAAL3MBTL1ALDH1A1KDM4E
Etocarlide SCHEMBL2995239 0.96 MAPT (0.93) MAPTGAAL3MBTL1ALDH1A1KDM4E
Etocarlide SCHEMBL7638509 0.96 MAPT (0.93) MAPTGAAL3MBTL1ALDH1A1KDM4E
Etocarlide SCHEMBL9066188 0.96 MAPT (0.93) MAPTGAAL3MBTL1ALDH1A1KDM4E
Etocarlide SCHEMBL2990523 0.96 MAPT (0.93) MAPTGAAL3MBTL1ALDH1A1KDM4E
Etocarlide SCHEMBL2999193 0.96 MAPT (0.93) MAPTGAAL3MBTL1ALDH1A1KDM4E
Etocarlide SCHEMBL3002327 0.96 MAPT (0.93) MAPTGAAL3MBTL1ALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927195-B2 Olefin coordination polymerization catalyst and use thereof PETROCHINA COMPANY LIMITED (CN) 2021-02-23 US claimed
US-20190248928-A1 Olefin Coordination Polymerization Catalyst and Use Thereof PETROCHINA COMPANY LIMITED (CN) 2019-08-15 US claimed
WO-2025048096-A1 ZIEGLER-NATTA CATALYST FOR OLEFIN POLYMERIZATION, METHOD FOR PREPARING POLYOLEFIN, AND POLYOLEFIN RESIN 한화솔루션 주식회사 2025-03-06 WO disclosed
WO-2022258518-A1 TITANIUM CATALYST FOR THE POLYESTER MANUFACTURING PROCESS CLARIANT INTERNATIONAL LTD (CH) 2022-12-15 WO disclosed
EP-4101817-A1 NEW TITANIUM CATALYST FOR THE POLYESTER MANUFACTURING PROCESS Clariant International Ltd (CH) 2022-12-14 EP disclosed
US-10927195-B2 Olefin coordination polymerization catalyst and use thereof PETROCHINA COMPANY LIMITED (CN) 2021-02-23 US disclosed
US-20190248928-A1 Olefin Coordination Polymerization Catalyst and Use Thereof PETROCHINA COMPANY LIMITED (CN) 2019-08-15 US disclosed
US-20160009830-A1 SUPPORTED POLYOLEFIN CATALYST AND PREPARATION AND APPLICATION THEREOF PETROCHINA COMPANY LIMITED (CN) 2016-01-14 US disclosed
EP-0889914-B1 COMPOSITION CONTAINING MAGNESIUM, TITANIUM, HALOGEN AND AN INNER ELECTRON DONOR, ITS PREPARATION AND USE FOR THE POLYMERIZATION OF ALPHA-OLEFINS BOREALIS TECH OY (FI) 2001-09-19 EP disclosed
EP-0889915-B1 A NOVEL COMPOSITION, ITS PREPARATION AND USE BOREALIS TECH OY (FI) 2001-08-16 EP disclosed
US-6207607-B1 PREPARED FROM A MAGNESIUM HALIDE*ALKANOL COMPLEX, TITANIUM TETRAHALIDE AND A CARBOXYLIC ESTER BOREALIS A/S (DK) 2001-03-27 US disclosed
US-6200923-B1 AS POLYMERIZATION CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2001-03-13 US disclosed
EP-0889914-A1 COMPOSITION CONTAINING MAGNESIUM, TITANIUM, HALOGEN AND AN INNER ELECTRON DONOR, ITS PREPARATION AND USE FOR THE POLYMERIZATION OF ALPHA-OLEFINS BOREALIS A/S (DK) 1999-01-13 EP disclosed
EP-0889915-A1 A NOVEL COMPOSITION, ITS PREPARATION AND USE BOREALIS A/S (DK) 1999-01-13 EP disclosed
WO-1997036938-A1 COMPOSITION CONTAINING MAGNESIUM, TITANIUM, HALOGEN AND AN INNER ELECTRON DONOR, ITS PREPARATION AND USE FOR THE POLYMERIZATION OF α-OLEFINS BOREALIS A/S (DK) 1997-10-09 WO disclosed
WO-1997036939-A1 A NOVEL COMPOSITION, ITS PREPARATION AND USE BOREALIS A/S (DK) 1997-10-09 WO disclosed
EP-0599355-B1 Catalysts for polymerization of olefins CHISSO CORP (JP) 1996-10-16 EP disclosed
EP-0599355-A1 Catalysts for polymerization of olefins CHISSO CORPORATION (JP) 1994-06-01 EP disclosed
US-5084429-A Coordination catalysts for olefin polymerization from magnesium, titanium, vanadium and silicon compounds CHISSO CORPORATION (JP) 1992-01-28 US disclosed
EP-0415704-A2 Catalysts for polymerization of olefins CHISSO CORPORATION (JP) 1991-03-06 EP disclosed