Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3019293

CCC/C=C\C/C=C\CCCCCCCc1cccc(O)c1C(=O)O.Cl

nearest known ligand 0.97

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
PPARG known ✓ P37231 1/20 0.69
F7 P08709 3/20 0.88
F3 P13726 3/20 0.88
BID P55957 7/20 0.83
MCL1 Q07820 7/20 0.83
BCL2L1 Q07817 6/20 0.83
BAK1 Q16611 6/20 0.83
MMP2 P08253 2/20 0.83
SAE1 Q9UBE0 2/20 0.83
KDM4E B2RXH2 1/20 0.83
MAPT P10636 1/20 0.83
ALOX15 P16050 1/20 0.83
ECE1 P42892 1/20 0.83
SGMS1 Q86VZ5 1/20 0.83
SGMS2 Q8NHU3 1/20 0.83
MUS81 Q96NY9 1/20 0.83
HSD17B10 Q99714 1/20 0.83
KAT8 Q9H7Z6 4/20 0.76
EP300 Q09472 3/20 0.76
KAT5 Q92993 3/20 0.76

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
SCHEMBL31629283 0.99 F7 (0.90) F7F3BIDMCL1BCL2L1
SCHEMBL21926857 0.99 F7 (0.90) F7F3BIDMCL1BCL2L1
SCHEMBL21705057 0.99 F7 (0.90) F7F3BIDMCL1BCL2L1
SCHEMBL154719 0.99 F7 (0.90) F7F3BIDMCL1BCL2L1
SCHEMBL4146215 0.99 F7 (0.90) F7F3BIDMCL1BCL2L1
SCHEMBL31618924 0.99 F7 (0.90) F7F3BIDMCL1BCL2L1
SCHEMBL5375286 0.94 F7 (1.00) F7F3BIDMCL1BCL2L1
SCHEMBL5375291 0.94 F7 (1.00) F7F3BIDMCL1BCL2L1
SCHEMBL5375284 0.94 F7 (1.00) F7F3BIDMCL1BCL2L1
SCHEMBL30516545 0.94 F7 (1.00) F7F3BIDMCL1BCL2L1

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-7750047-B2 Modulators (inhibitors/activators) of histone acetyltransferases JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2010-07-06 US disclosed
US-20090076155-A1 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES KUNDU TAPAS KUMAR 2009-03-19 US disclosed
US-7332629-B2 Modulators (inhibitors/activators) of histone acetyltransferases JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2008-02-19 US disclosed
US-20060167107-A1 Modulators (inhibitors/ activators) of histone acetyltransferases JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2006-07-27 US disclosed
EP-1590318-A2 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES Jawaharlal Nehru Centre For Advanced Scientific Research (IN) 2005-11-02 EP disclosed
WO-2004053140-A2 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2004-06-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060167107-A1 Modulators (inhibitors/ activators) of histone acetyltransferases EP300, HDAC1, KAT2A PPARG 1175/4885F7 4316/4885F3 2288/4885
US-20090076155-A1 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES KAT2A, HDAC5, HAT1 PPARG 161/4885F7 4680/4885F3 2204/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.