SCHEMBL9433713

SCHEMBL9433713

COc1cccc(C(O)(c2nccs2)C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.51
ALOX5 P09917 14/20 0.47
NR1H2 P55055 1/20 0.47
PRKDC P78527 1/20 0.44
CNR1 P21554 1/20 0.39
CTSA P10619 1/20 0.38

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
SCHEMBL9434229 0.81 AR (0.55) ARALOX5NR1H2PRKDC
SCHEMBL9598846 0.79 ALOX5 (0.70) ALOX5
SCHEMBL9433149 0.76 ALOX5 (0.52) ALOX5
SCHEMBL8682014 0.73 AR (0.52) ARALOX5NR1H2PRKDC
SCHEMBL8617994 0.72 AR (0.53) ARALOX5NR1H2PRKDCCNR1
SCHEMBL10681669 0.71 RORA (0.55) ARNR1H2
SCHEMBL23838094 0.70 HSD11B1 (0.50) NR1H2
SCHEMBL21087697 0.70 HSD11B1 (0.50) NR1H2
SCHEMBL16132424 0.69 AHR (0.49)
SCHEMBL8617770 0.69 AR (0.50) ARALOX5NR1H2PRKDC

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 5 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
US-5196422-A Antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-03-23 US disclosed
EP-0381375-B1 HETEROCYCLIC DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-11 EP disclosed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 US disclosed
US-5089495-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (FR) 1992-02-18 US disclosed