SCHEMBL9433684

SCHEMBL9433684

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

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.54
CYSLTR1 Q9Y271 8/20 0.48
GPBAR1 Q8TDU6 7/20 0.48
CYSLTR2 Q9NS75 3/20 0.47
PDE10A Q9Y233 2/20 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
SCHEMBL9433149 0.85 ALOX5 (0.52) ALOX5CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL10543748 0.77 CYSLTR1 (0.64) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL9434226 0.71 ALOX5 (0.55) ALOX5CYSLTR1GPBAR1PDE10A
SCHEMBL9216165 0.71 CYSLTR1 (0.58) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL27485722 0.71 CYSLTR1 (0.75) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL9081303 0.70 CYSLTR1 (0.60) ALOX5CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL9433363 0.70 ALOX5 (0.74) ALOX5
SCHEMBL10632386 0.69 CYSLTR1 (0.53) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL10635391 0.69 CYSLTR1 (0.55) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL9598846 0.69 ALOX5 (0.70) 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 3 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