SCHEMBL6089132

SCHEMBL6089132

O=Cc1ccccc1OCc1cccc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.62
GPBAR1 Q8TDU6 3/20 0.62
CYSLTR2 Q9NS75 3/20 0.55
ALOX5 P09917 1/20 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
SCHEMBL6508963 0.87 CYSLTR1 (0.56) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089481 0.86 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6089478 0.86 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL7011355 0.85 CYSLTR1 (0.66) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6088456 0.83 CYSLTR1 (0.54) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6088435 0.81 CYSLTR1 (0.66) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6089807 0.81 CYSLTR1 (0.66) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL8834773 0.80 CYSLTR1 (0.51) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7007747 0.80 CYSLTR1 (0.95) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL9828682 0.80 CYSLTR1 (0.65) CYSLTR1GPBAR1CYSLTR2ALOX5

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