SCHEMBL6089262

SCHEMBL6089262

Cc1cc(Cl)cc(COCc2cccc(OCc3ccc4ccccc4n3)c2)c1OCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 14/20 0.53
CYSLTR2 Q9NS75 9/20 0.53
GPBAR1 Q8TDU6 2/20 0.52
ALOX5 P09917 1/20 0.51

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
SCHEMBL6088840 0.91 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6090709 0.86 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL4850012 0.86 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1
SCHEMBL4852654 0.82 GPBAR1 (0.43) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6089489 0.81 CYSLTR1 (0.51) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6091744 0.81 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6088989 0.80 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6089372 0.80 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6088484 0.79 CYSLTR1 (0.69) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL14021726 0.79 CYSLTR1 (0.43) 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 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