SCHEMBL9380222

SCHEMBL9380222

COC1(c2cc(Sc3ccc(C(C)(C)C#N)cc3)cc(C(F)(F)F)c2)CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.39
CYP19A1 P11511 1/20 0.30

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
SCHEMBL9381845 0.88 ALOX5 (0.32) ALOX5
SCHEMBL9385312 0.88 ALOX5 (0.32) ALOX5
SCHEMBL9458637 0.85 ALOX5 (0.32) ALOX5CYP19A1
SCHEMBL9380828 0.80 ALOX5 (0.47) ALOX5
SCHEMBL9381401 0.78 ALOX5 (0.37) ALOX5
SCHEMBL9440457 0.76 ALOX5 (0.43) ALOX5
SCHEMBL9458108 0.76 ALOX5 (0.34) ALOX5CYP19A1
SCHEMBL9384364 0.75
SCHEMBL9380123 0.74 ALOX5 (0.39) ALOX5
SCHEMBL9380308 0.72 ALOX5 (0.41) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409413-B1 Diaryl ether heterocycles ICI PLC (GB) 1994-08-03 EP claimed
EP-0409413-A2 Diaryl ether heterocycles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-23 EP claimed
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