SCHEMBL6089086

SCHEMBL6089086

Cc1cccc(COc2cccc(OCc3ccc4ccc(Cl)cc4n3)c2)c1OCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 5/20 0.51
CYSLTR2 Q9NS75 3/20 0.51
GPBAR1 Q8TDU6 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44

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
SCHEMBL6088975 0.90 CYSLTR1 (0.46) CYSLTR1CYSLTR2GPBAR1PTGDR2NR4A2
SCHEMBL6089372 0.89 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6090791 0.86 PTGDR2 (0.44) PTGDR2NR4A1NR4A2NR4A3
SCHEMBL6091468 0.86 CYSLTR1 (0.51) CYSLTR1CYSLTR2GPBAR1PTGDR2
SCHEMBL6090629 0.86 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1NR4A1NR4A2
SCHEMBL6092367 0.84 LMNA (0.48) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6087773 0.84 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1PTGDR2
SCHEMBL6088840 0.84 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6088575 0.83 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6089788 0.83 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