SCHEMBL6688943

SCHEMBL6688943

Cc1ccc(S(=O)(=O)O)cc1.NC1(C(=O)OCc2ccccc2)CCC1

nearest known ligand 0.49

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.46
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL4615932 0.98 LMNA (0.49) LMNAMAPTCA1CA2CYP1A2
SCHEMBL1486219 0.97 LMNA (0.48) LMNAMAPTCA1CA2
SCHEMBL6895029 0.95 LMNA (0.51) LMNAMAPTCA1CA2CYP1A2
SCHEMBL21331281 0.84 LMNA (0.46) LMNAMAPTCA1CA2CYP1A2
SCHEMBL1144346 0.83 DDB1 (0.51) LMNACA1CA2
SCHEMBL3192 0.81 DDB1 (0.51) LMNACA1CA2
SCHEMBL551405 0.79 DDB1 (0.50) LMNACA1CA2
SCHEMBL1841706 0.79 DDB1 (0.50) LMNACA1CA2
Hydrochloric Acid SCHEMBL1809434 0.79 DDB1 (0.50) LMNACA1CA2
1-Aminocyclobutane Carboxylic Acid SCHEMBL2724090 0.78 CYP2C19 (0.44) LMNAMAPTCA1CA2CYP1A2

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
EP-0952148-B1 Cyclobutyl-aryloxyarylsulfonylamino hydroxamic acid derivatives PFIZER PROD INC (US) 2004-05-12 EP disclosed
US-6156798-A Cyclobutyl-aryloxyarylsulfonylamino hydroxamic acid derivatives PFIZER INC (US) 2000-12-05 US disclosed
EP-0952148-A1 Cyclobutyl-aryloxyarylsulfonylamino hydroxamic acid derivatives Pfizer Products Inc. (US) 1999-10-27 EP disclosed
EP-0333000-B1 PEPTIDES WITH INHIBITORY ACTIVITY OF ENZYMATIC SYSTEMS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZAMBON GROUP S.p.A. (IT) 1993-05-19 EP disclosed
US-5145872-A PEPTIDES WITH PHARMACEUTICAL ACTIVITY ZAMBON GROUP, S.P.A. (IT) 1992-09-08 US disclosed
EP-0333000-A2 Peptides with inhibitory activity of enzymatic systems, process for their preparation and pharmaceutical compositions containing them ZAMBON GROUP S.p.A. (IT) 1989-09-20 EP disclosed