SCHEMBL9380683

SCHEMBL9380683

COC1(c2cc([S+]([O-])c3ccc4ccccc4c3)cc(C(F)(F)F)c2)CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.45
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL9380828 0.78 ALOX5 (0.47) ALOX5
SCHEMBL9254867 0.70 ALOX5 (0.54) ALOX5PTGS2PTGS1
SCHEMBL9226945 0.70 ALOX5 (0.38) ALOX5PTGS2PTGS1
SCHEMBL9220235 0.67 ALOX5 (0.61) ALOX5
SCHEMBL9210632 0.67 ALOX5 (0.57) ALOX5
SCHEMBL9222711 0.67 ALOX5 (0.67) ALOX5PTGS2PTGS1
SCHEMBL9380811 0.64 ALOX5 (0.61) ALOX5
SCHEMBL9253894 0.64 ALOX5 (0.40) ALOX5
SCHEMBL9385108 0.64 ALOX5 (0.60) ALOX5
SCHEMBL2785643 0.64 CYP2A6 (0.42)

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
EP-0409413-B1 Diaryl ether heterocycles ICI PLC (GB) 1994-08-03 EP disclosed
US-5208259-A Lipoxygenase enzyme inhibitors IMPERIAL CHEMICAL INDUSTRIES (GB) 1993-05-04 US disclosed
EP-0409413-A2 Diaryl ether heterocycles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-23 EP disclosed