SCHEMBL6090963

SCHEMBL6090963

Cc1cccc(COc2cccc(COc3ccc4ccccc4n3)c2)c1C(=O)OCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 13/20 0.46
CYSLTR2 Q9NS75 9/20 0.46
ALOX5 P09917 1/20 0.42
GPBAR1 Q8TDU6 4/20 0.41
ADAMTS4 O75173 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6089447 0.86 CYSLTR1 (0.51) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL6088757 0.78 CYSLTR1 (0.48) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL6089021 0.77 CYSLTR1 (0.48) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL6089420 0.76 CYSLTR1 (0.47) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL6089083 0.75 CYSLTR1 (0.59) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL6088400 0.73 CYSLTR1 (0.62) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL6092289 0.73 ALOX5 (0.58) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL6089840 0.73 CYSLTR1 (0.59) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL6088592 0.73 CYSLTR1 (0.48) CYSLTR1CYSLTR2ALOX5GPBAR1MAPT
SCHEMBL6089416 0.72 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1MAPT

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