Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7615696

CC1=CCC([Ti](Oc2cccc(C(C)(C)C)c2)=C(C)C)=C1C.Cl.Cl

nearest known ligand 0.32

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 15)

geneUniProtsupporting neighboursconfidence
HDAC4 known ✓ P56524 1/20 0.30
HDAC2 known ✓ Q92769 1/20 0.30
HDAC8 known ✓ Q9BY41 1/20 0.30
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
SOD1 P00441 1/20 0.31
TRPA1 O75762 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GRM2 Q14416 1/20 0.30
P2RY1 P47900 1/20 0.30

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
Hydrochloric Acid SCHEMBL7613614 0.86
Hydrochloric Acid SCHEMBL7614298 0.82
Hydrochloric Acid SCHEMBL7611723 0.81 CYP3A4 (0.33) CYP3A4CYP2C9CYP2C19TRPV1SOD1
Hydrochloric Acid SCHEMBL716442 0.81 GRM2 (0.34) CYP3A4CYP2C9CYP2C19TRPV1SOD1
Hydrochloric Acid SCHEMBL714595 0.78 TRPV1 (0.33) CYP3A4CYP2C9CYP2C19TRPV1SOD1
SCHEMBL5710127 0.77 TRPV1 (0.34) CYP3A4CYP2C9CYP2C19TRPV1SOD1
Hydrochloric Acid SCHEMBL716540 0.76 CYP3A4 (0.33) CYP3A4CYP2C9CYP2C19TRPV1SOD1
Hydrochloric Acid SCHEMBL7615038 0.75 GRM2 (0.35) CYP3A4CYP2C9CYP2C19TRPV1GRM2
Hydrochloric Acid SCHEMBL715519 0.75 CYP3A4 (0.33) CYP3A4CYP2C9CYP2C19TRPV1SOD1
SCHEMBL5553269 0.73 CYP3A4 (0.34) CYP3A4CYP2C9CYP2C19TRPV1SOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020115802-A1 Copolymer of an aromatic vinyl monomer, ethylene and a diene monomer, in specific mol % IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-08-22 US disclosed
US-6433083-B2 MOLDING MATERIAL; HEAT AND SOLVENT RESISTANCE, TOUGHNESS, TENSILE STRENGTH, ELONGATION, TRANSPARENT IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-08-13 US disclosed
US-6376614-B1 USING COORDINATION POLYMERIZATION CATALYSTS IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-04-23 US disclosed
US-20010025085-A1 Aromatic vinyl resin material and molded products thereof IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-09-27 US disclosed
EP-0911349-A1 Aromatic vinyl resin material and molded products thereof Idemitsu Petrochemical Co., Ltd. (JP) 1999-04-28 EP disclosed
EP-0911346-A2 Ethylene copolymer and aromatic vinyl graft copolymer and method for producing the same Idemitsu Petrochemical Co., Ltd. (JP) 1999-04-28 EP disclosed