SCHEMBL9475469

SCHEMBL9475469

COc1ccc(C#Cc2cccc(C(C)N(O)C(N)=O)c2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.53
ACACB O00763 2/20 0.44
EPHX2 P34913 1/20 0.41

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
SCHEMBL9195594 0.90 ACACB (0.46) ALOX5ACACB
SCHEMBL9475768 0.89 ALOX5 (0.60) ALOX5ACACBEPHX2
SCHEMBL9476202 0.88 ALOX5 (0.57) ALOX5ACACB
SCHEMBL9476102 0.88 ALOX5 (0.61) ALOX5
SCHEMBL9476620 0.87 ALOX5 (0.53) ALOX5EPHX2
SCHEMBL9475770 0.86 ALOX5 (0.70) ALOX5EPHX2
SCHEMBL9476032 0.85 ALOX5 (0.49) ALOX5EPHX2
SCHEMBL9477396 0.85 ALOX5 (0.60) ALOX5EPHX2
SCHEMBL9476538 0.84 ALOX5 (0.48) ALOX5EPHX2
SCHEMBL9476083 0.84 ALOX5 (0.52) ALOX5EPHX2

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-5202349-A Lipoxygenase inhibitors, antiasthatics GRUENENTHAL GMBH (DE) 1993-04-13 US disclosed