SCHEMBL9195264

SCHEMBL9195264

CC(=O)N(O)C(C)c1ccc(C#Cc2cccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.47
ALOX5 P09917 2/20 0.40
ERN1 O75460 1/20 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
SCHEMBL9476176 0.88 ALOX5 (0.55) FFAR1ALOX5
SCHEMBL9197580 0.83 FFAR1 (0.43) FFAR1ALOX5ERN1
SCHEMBL9195413 0.82 FFAR1 (0.54) FFAR1ALOX5
SCHEMBL9195927 0.80 ACACB (0.49) FFAR1ALOX5
SCHEMBL9192424 0.78 ALOX5 (0.48) FFAR1ALOX5
SCHEMBL9195590 0.78 ALOX5 (0.35) ALOX5
SCHEMBL9197164 0.77 ALOX5 (0.55) ALOX5
SCHEMBL9190852 0.75 FFAR1 (0.58) FFAR1ALOX5ERN1
SCHEMBL9190073 0.74 FFAR1 (0.47) FFAR1
SCHEMBL9192430 0.73 FFAR1 (0.46) FFAR1ERN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468281-B1 Substituted phenylacetylenes, pharmaceuticals containing them and methods for the preparation of these compounds and pharmaceuticals GRUENENTHAL GMBH (DE) 1995-03-08 EP disclosed
US-5202349-A Lipoxygenase inhibitors, antiasthatics GRUENENTHAL GMBH (DE) 1993-04-13 US disclosed
EP-0468281-A1 Substituted phenylacetylenes, pharmaceuticals containing them and methods for the preparation of these compounds and pharmaceuticals Grünenthal GmbH (DE) 1992-01-29 EP disclosed