SCHEMBL9433149

SCHEMBL9433149

OC(c1cccc(OCc2ccc3ccccc3n2)c1)(c1nccs1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.52
CYSLTR1 Q9Y271 8/20 0.50
GPBAR1 Q8TDU6 5/20 0.50
PDE10A Q9Y233 2/20 0.48
CYSLTR2 Q9NS75 4/20 0.48

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
SCHEMBL9598846 0.85 ALOX5 (0.70) ALOX5
SCHEMBL9433684 0.85 ALOX5 (0.54) ALOX5CYSLTR1GPBAR1PDE10ACYSLTR2
SCHEMBL10543748 0.78 CYSLTR1 (0.64) CYSLTR1GPBAR1PDE10ACYSLTR2
SCHEMBL9433713 0.76 AR (0.51) ALOX5
SCHEMBL10632386 0.73 CYSLTR1 (0.53) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL10635391 0.73 CYSLTR1 (0.55) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL10632693 0.71 CYSLTR1 (0.53) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL6088376 0.71 CYSLTR1 (0.72) CYSLTR1GPBAR1PDE10ACYSLTR2
SCHEMBL10636229 0.71 CYSLTR1 (0.57) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL9369864 0.70 ALOX5 (0.76) ALOX5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5283245-A Antiinflammatory agent, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-01 US disclosed
EP-0381375-B1 HETEROCYCLIC DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-11 EP disclosed
US-5089495-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (FR) 1992-02-18 US disclosed
EP-0381375-A1 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-08 EP disclosed