SCHEMBL6089805

SCHEMBL6089805

COC(=O)c1cncc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.74
GPBAR1 Q8TDU6 2/20 0.60
ALOX5 P09917 1/20 0.57
CYSLTR2 Q9NS75 6/20 0.55

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
SCHEMBL6092333 0.89 CYSLTR1 (0.73) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL7004947 0.87 CYSLTR1 (0.85) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL9130463 0.85 CYSLTR1 (1.00) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9827537 0.84 CYSLTR1 (0.83) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL7005360 0.83 CYSLTR1 (0.71) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL26771295 0.83 CYSLTR1 (0.77) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL7716691 0.82 CYSLTR1 (0.88) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL6088531 0.82 CYSLTR1 (0.67) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL26771312 0.81 CYSLTR1 (0.82) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL6090885 0.80 CYSLTR1 (0.64) CYSLTR1GPBAR1ALOX5CYSLTR2

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