SCHEMBL6090685

SCHEMBL6090685

COc1cc(C)c(C(=O)O)c(OCc2cccc(OCc3ccc4ccccc4n3)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.57
GPBAR1 Q8TDU6 2/20 0.57
CYSLTR2 Q9NS75 8/20 0.56
ALOX5 P09917 1/20 0.55
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 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
SCHEMBL6088320 0.94 CYSLTR1 (0.59) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6089080 0.94 CYSLTR1 (0.59) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6088634 0.94 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL27528607 0.91 ALOX5 (0.57) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6089493 0.90 ALOX5 (0.55) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL9023234 0.89 CYSLTR1 (0.65) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6091338 0.89 CYSLTR1 (0.61) CYSLTR1GPBAR1CYSLTR2ALOX5MAPT
SCHEMBL10533300 0.87 CYSLTR1 (0.57) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6089926 0.87 CYSLTR1 (0.61) CYSLTR1GPBAR1CYSLTR2ALOX5MAPT
SCHEMBL6087522 0.86 CYSLTR1 (0.60) CYSLTR1GPBAR1CYSLTR2ALOX5MAPT

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