Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4489763

CC(C)(C)c1ccc(COC(=O)CCC(=O)CN)cc1.Cl

nearest known ligand 0.45

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 Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 1/20 0.40
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.44
NR4A2 P43354 2/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
NAAA Q02083 1/20 0.41
NR2F2 P24468 1/20 0.41
NR4A1 P22736 1/20 0.39
NR4A3 Q92570 1/20 0.39
TRPV1 Q8NER1 1/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL5369304 0.99 MAPT (0.46) MAPTALDH1A1SMN1; SMN2RAB9AMEN1
Hydrochloric Acid SCHEMBL4484631 0.86 IDO1 (0.49) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL20015915 0.85 SMN1; SMN2 (0.51) MAPTALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL27790636 0.84 IDO1 (0.47) MAPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL1177366 0.84 MAPT (0.52) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL3398540 0.82 MAPT (0.53) MAPTALDH1A1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL4480459 0.81 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2RAB9AMEN1
Hydrochloric Acid SCHEMBL4481340 0.81 ALDH1A1 (0.48) MAPTALDH1A1KMT2ALMNAKDM4E
Hydrochloric Acid SCHEMBL4474551 0.81 MEN1 (0.55) MAPTALDH1A1MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL27554654 0.81 KDM4E (0.43) MAPTALDH1A1RAB9AMEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563819-B1 Esters of 5-aminolevulinic acid as photosensitizing agents in photochemotherapy PHOTOCURE ASA (NO) 2009-07-21 US disclosed
US-7287646-B2 Esters of 5-aminolevulinic acid and their use as photosensitizing compounds in photochemotherapy PHOTOCURE ASA (NO) 2007-10-30 US disclosed
US-7217736-B2 Esters of 5-aminolevulinic acid as photosensitizing agents in photochemotherapy PHOTOCURE ASA (NO) 2007-05-15 US disclosed
EP-1313695-B1 ESTERS OF 5-AMINOLEVULINIC ACID AS PHOTOSENSITIZING AGENTS IN PHOTOCHEMOTHERAPY PHOTOCURE ASA (NO) 2006-12-27 EP disclosed
US-6992107-B1 Esters of 5-aminolevulinic acid and their use as photosensitizing compounds in photochemotherapy PHOTOCURE ASA (NO) 2006-01-31 US disclosed
US-20050107471-A1 NEW ESTERS OF 5-AMINOLEVULINIC ACID AND THEIR USE AS PHOTOSENSITIZING COMPOUNDS IN PHOTOCHEMOTHERAPY GIERSKCKY KARL E (NO) 2005-05-19 US disclosed
US-20040106679-A1 Esters of 5-aminolevulinic acid as photosensitizing agents in photochemotherapy PHOTOCURE ASA (NO) 2004-06-03 US disclosed
EP-1313695-A1 ESTERS OF 5-AMINOLEVULINIC ACID AS PHOTOSENSITIZING AGENTS IN PHOTOCHEMOTHERAPY Photocure ASA (NO) 2003-05-28 EP disclosed
WO-2002010120-A1 ESTERS OF 5-AMINOLEVULINIC ACID AS PHOTOSENSITIZING AGENTS IN PHOTOCHEMOTHERAPY PHOTOCURE ASA (NO) 2002-02-07 WO disclosed