SCHEMBL6090709

SCHEMBL6090709

Cc1cccc(COc2cccc(COCc3ccc4ccccc4n3)c2)c1OCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 14/20 0.55
CYSLTR2 Q9NS75 8/20 0.55
GPBAR1 Q8TDU6 2/20 0.53
ALOX5 P09917 1/20 0.52

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
SCHEMBL6089372 0.91 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6088921 0.90 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6089840 0.87 CYSLTR1 (0.59) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6088899 0.86 GPBAR1 (0.61) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6089262 0.86 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6088575 0.85 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1
SCHEMBL4841922 0.85 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6089203 0.84 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL5726739 0.84 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6089083 0.83 CYSLTR1 (0.59) CYSLTR1CYSLTR2GPBAR1ALOX5

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 1 patent. 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