SCHEMBL7302285

SCHEMBL7302285

Cc1ccc(S(=O)(=O)O)cc1.N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.56

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 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.56
LAP3 P28838 1/20 0.56
AR P10275 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
PIR O00625 1/20 0.47
MAOB P27338 3/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.46
PARP10 Q53GL7 1/20 0.45
TSPO P30536 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
LNPEP Q9UIQ6 3/20 0.44

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
SCHEMBL5221398 0.92 LMNA (0.52) LTA4HLAP3CA1CA2MAPT
SCHEMBL718199 0.92 LMNA (0.52) LTA4HLAP3CA1CA2MAPT
SCHEMBL2590490 0.92 LMNA (0.52) LTA4HLAP3CA1CA2MAPT
SCHEMBL27403149 0.92 MMP1 (0.46) LTA4HLAP3CA1CA2MAPT
SCHEMBL6897546 0.92 MMP1 (0.46) LTA4HLAP3CA1CA2MAPT
SCHEMBL12615481 0.90 MAPT (0.48) LTA4HLAP3CA1CA2MAPT
SCHEMBL716533 0.90 MAPT (0.48) LTA4HLAP3CA1CA2MAPT
SCHEMBL5115273 0.90 MAPT (0.48) LTA4HLAP3CA1CA2MAPT
SCHEMBL7709765 0.90 MAPT (0.44) LTA4HLAP3ARMAPTLMNA
SCHEMBL8813869 0.88 P2RX7 (0.47) LTA4HLAP3CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358398-B1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS Pfizer Limited (GB) 1993-03-10 EP disclosed
US-4975444-A INHIBITORS OF ANGIORENSIN-CONVERTING ENZYME AS WELL AS A ENDOPEPTIDASE; CARDIOTONIC AGENTS; GLAUCOMA; DIURETICS PFIZER INC. (US) 1990-12-04 US disclosed
EP-0358398-A1 Cycloalkyl-substituted glutaramide antihypertensive agents Pfizer Limited (GB) 1990-03-14 EP disclosed