SCHEMBL6092671

SCHEMBL6092671

Cc1cccc(COCc2cncn2Cc2ccc3ccccc3n2)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 4/20 0.39
GPBAR1 Q8TDU6 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYSLTR2 Q9NS75 2/20 0.36
ALOX5AP P20292 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35

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
SCHEMBL6088877 0.87 CYP1A2 (0.36) CYSLTR1GPBAR1PTGDR2CYP1A2CYSLTR2
SCHEMBL6089639 0.80 CYSLTR1 (0.41) CYSLTR1GPBAR1PTGDR2CYP1A2CYSLTR2
SCHEMBL6092667 0.77 PTGDR2 (0.37) CYSLTR1GPBAR1PTGDR2CYP1A2CYSLTR2
SCHEMBL4841446 0.77 CYSLTR1 (0.47) CYSLTR1GPBAR1CYP1A2CYSLTR2
SCHEMBL4848359 0.77 CYSLTR1 (0.50) CYSLTR1GPBAR1CYSLTR2
SCHEMBL4850064 0.76 CYSLTR1 (0.49) CYSLTR1GPBAR1CYSLTR2
SCHEMBL4848684 0.75 CYSLTR1 (0.46) CYSLTR1GPBAR1CYP1A2CYSLTR2
SCHEMBL6088989 0.73 CYSLTR1 (0.61) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089436 0.72 CYP11B1 (0.45) CYSLTR1GPBAR1PTGDR2CYP1A2CYSLTR2
SCHEMBL14021730 0.72 MAPT (0.42) CYSLTR1GPBAR1CYP1A2CYSLTR2

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