SCHEMBL6089659

SCHEMBL6089659

CC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1OCc1cccc(C)c1OCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.52
GPBAR1 Q8TDU6 3/20 0.52
CYSLTR2 Q9NS75 4/20 0.48
ALOX5AP P20292 4/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47
ALOX5 P09917 1/20 0.46
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46

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
SCHEMBL6090408 0.90 CYSLTR1 (0.52) CYSLTR1GPBAR1CYSLTR2ALOX5APALOX5
SCHEMBL6088398 0.90 CYSLTR1 (0.52) CYSLTR1GPBAR1CYSLTR2ALOX5APALOX5
SCHEMBL6089372 0.89 CYSLTR1 (0.62) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6088899 0.89 GPBAR1 (0.61) CYSLTR1GPBAR1CYSLTR2ALOX5APALOX5
SCHEMBL6088575 0.85 CYSLTR1 (0.54) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL6088921 0.83 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6090709 0.82 CYSLTR1 (0.55) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL7559431 0.82 CYSLTR1 (0.59) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6092367 0.80 LMNA (0.48) CYSLTR1GPBAR1CYSLTR2
SCHEMBL4856376 0.80 CYSLTR1 (0.50) CYSLTR1GPBAR1CYSLTR2ALOX5APPTGDR2

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