SCHEMBL6089420

SCHEMBL6089420

Cc1cccc(C[S+]([O-])c2cccc(OCc3ccc4ccccc4n3)c2)c1C(=O)OCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.47
CYSLTR2 Q9NS75 7/20 0.46
GPBAR1 Q8TDU6 3/20 0.46
ALOX5 P09917 1/20 0.43

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
SCHEMBL6090972 0.87 CYSLTR1 (0.56) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6088757 0.82 CYSLTR1 (0.48) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6089021 0.81 CYSLTR1 (0.48) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6089416 0.77 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6090963 0.76 CYSLTR1 (0.46) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL5726112 0.76 CYSLTR1 (0.69) CYSLTR1CYSLTR2GPBAR1
SCHEMBL5725146 0.74 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6088400 0.71 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6089338 0.71 CYP1A2 (0.37) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6089432 0.71 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
CN-1183113-C Tri-aryl acid derivatives as PPAR receptor ligands ���ĵ�˹ҩ��¹����޹�˾ 2005-01-05 CN disclosed
CN-1356983-A Tri-aryl acid derivatives as PPAR receptor ligands AVENTIS PHARM PROD INC (DE) 2002-07-03 CN disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed