SCHEMBL6089456

SCHEMBL6089456

COC(=O)c1c(C)cccc1COc1cccc(OCc2ccc3cc(OC)ccc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.54
CYSLTR2 Q9NS75 6/20 0.46
GPBAR1 Q8TDU6 2/20 0.45
ALOX5AP P20292 2/20 0.45
ALOX5 P09917 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
SCHEMBL6088658 0.91 CYSLTR1 (0.51) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6089165 0.89 CYSLTR1 (0.54) CYSLTR1CYSLTR2
SCHEMBL5726112 0.89 CYSLTR1 (0.69) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6088312 0.84 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6092367 0.83 LMNA (0.48) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6088563 0.81 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6088001 0.81 CYSLTR1 (0.59) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6088400 0.80 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6089083 0.80 CYSLTR1 (0.59) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6088777 0.79 CYSLTR1 (0.55) 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