SCHEMBL9301149

SCHEMBL9301149

CC1C[C@@H](O)C(c2cccc(COc3ccc4c(-c5ccoc5)cc(C#N)cc4c3)c2)C(C)O1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 20/20 0.58

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
SCHEMBL9300932 0.88 ALOX5 (0.62) ALOX5
SCHEMBL9301183 0.88 ALOX5 (0.62) ALOX5
SCHEMBL9302876 0.81 ALOX5 (0.57) ALOX5
SCHEMBL9302861 0.81 ALOX5 (0.62) ALOX5
SCHEMBL9381761 0.76 ALOX5 (0.68) ALOX5
SCHEMBL9387208 0.76 ALOX5 (0.68) ALOX5
SCHEMBL9301169 0.74 ALOX5 (0.61) ALOX5
SCHEMBL9301133 0.72 ALOX5 (0.63) ALOX5
SCHEMBL9300407 0.72 ALOX5 (1.00) ALOX5
SCHEMBL29519211 0.72 ALOX5 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5308852-A Cardiovascular disorders MERCK FROSST CANADA, INC. (CA) 1994-05-03 US disclosed
EP-0579304-A1 Heteroarylnaphthalenes as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1994-01-19 EP disclosed