SCHEMBL6092333

SCHEMBL6092333

O=C(O)c1cncc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 12/20 0.73
GPBAR1 Q8TDU6 4/20 0.73
CYSLTR2 Q9NS75 7/20 0.60
ALOX5 P09917 1/20 0.58

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
SCHEMBL7716691 0.91 CYSLTR1 (0.88) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6089805 0.89 CYSLTR1 (0.74) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL7711072 0.87 GPBAR1 (0.80) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL7010090 0.87 CYSLTR1 (0.84) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL422355 0.85 CYSLTR1 (1.00) CYSLTR1GPBAR1CYSLTR2
SCHEMBL30444017 0.85 CYSLTR1 (1.00) CYSLTR1GPBAR1CYSLTR2
Hydrochloric Acid SCHEMBL7006935 0.84 CYSLTR1 (0.97) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7715799 0.84 CYSLTR1 (0.86) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7452285 0.83 CYSLTR1 (0.77) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL9023239 0.83 CYSLTR1 (0.82) CYSLTR1GPBAR1CYSLTR2ALOX5

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