SCHEMBL9475768

SCHEMBL9475768

COc1ccc(C#Cc2cccc(C(C)N(O)C(N)=O)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.60
PTGES O14684 3/20 0.49
ACACB O00763 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
EPHX2 P34913 1/20 0.42
FFAR1 O14842 1/20 0.42

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
SCHEMBL9475770 0.92 ALOX5 (0.70) ALOX5PTGESEPHX2
SCHEMBL9476102 0.91 ALOX5 (0.61) ALOX5PTGESCA12CA1CA2
SCHEMBL9191848 0.89 PTGES (0.50) ALOX5PTGESACACBFFAR1
SCHEMBL9475469 0.89 ALOX5 (0.53) ALOX5ACACBEPHX2
SCHEMBL9477396 0.86 ALOX5 (0.60) ALOX5CA12CA1CA2CA9
SCHEMBL9476486 0.85 ALOX5 (0.54) ALOX5EPHX2
SCHEMBL9476083 0.85 ALOX5 (0.52) ALOX5PTGESEPHX2
SCHEMBL9476620 0.83 ALOX5 (0.53) ALOX5PTGESEPHX2FFAR1
SCHEMBL9474961 0.83 ALOX5 (0.50) ALOX5ACACBEPHX2
SCHEMBL9478541 0.82 ALOX5 (0.51) ALOX5PTGESEPHX2FFAR1

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