SCHEMBL6089203

SCHEMBL6089203

Cc1cccc(COc2cccc(COCc3ccc4ccccc4n3)c2)c1OCC#N

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.50
GPBAR1 Q8TDU6 5/20 0.50
ALOX5 P09917 1/20 0.46
CYSLTR2 Q9NS75 4/20 0.45

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
SCHEMBL6087968 0.90 CYSLTR1 (0.56) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6088343 0.89 MAPT (0.41) CYSLTR1GPBAR1ALOX5
SCHEMBL6087614 0.86 NOS3 (0.35) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL6090709 0.84 CYSLTR1 (0.55) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL4843341 0.84 CYSLTR1 (0.41) CYSLTR1GPBAR1CYSLTR2
SCHEMBL5726954 0.83 CYSLTR1 (0.40) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL4841879 0.82 CYSLTR1 (0.42) CYSLTR1GPBAR1CYSLTR2
SCHEMBL4849551 0.82 CYSLTR1 (0.44) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6088282 0.81 ALOX5 (0.42) ALOX5
SCHEMBL6089788 0.80 CYSLTR1 (0.43) CYSLTR1GPBAR1CYSLTR2

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
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US 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