SCHEMBL9740631

SCHEMBL9740631

CCC1(c2cccc(OCc3ccc4ccc(F)cc4c3)c2)OC(C)(C)OC1F

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 16/20 0.48
MAOB P27338 2/20 0.37
ADAM17 P78536 2/20 0.37

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
SCHEMBL9370735 0.74 ALOX5 (0.60) ALOX5MAOBADAM17
SCHEMBL9364971 0.72 ALOX5 (0.63) ALOX5MAOBADAM17
SCHEMBL9366371 0.71 ALOX5 (0.58) ALOX5MAOBADAM17
SCHEMBL9226309 0.71 ALOX5 (0.60) ALOX5ADAM17
SCHEMBL9365410 0.69 ALOX5 (0.62) ALOX5ADAM17
SCHEMBL9583379 0.69 ALOX5 (0.62) ALOX5ADAM17
SCHEMBL9365123 0.69 ALOX5 (0.51) ALOX5
SCHEMBL9228038 0.69 ALOX5 (0.49) ALOX5ADAM17
SCHEMBL9366162 0.69 ALOX5 (0.47) ALOX5
SCHEMBL9219840 0.69 ALOX5 (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098932-A Inhibitors of lipoxygenase for treatment of diseases mediated with leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC, ICI PHARMA (FR) 1992-03-24 US disclosed