SCHEMBL9299537

SCHEMBL9299537

CC(=O)N(O)C(C)c1ccc(C(O)C#Cc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
FFAR1 O14842 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
SCHEMBL9299814 0.88 ALOX5 (0.63) ALOX5
SCHEMBL9195413 0.87 FFAR1 (0.54) ALOX5FFAR1
SCHEMBL9299711 0.82 ALOX5 (0.41) ALOX5
SCHEMBL9298814 0.78 ALOX5 (0.51) ALOX5FFAR1
SCHEMBL9211809 0.78 ALOX5 (0.69) ALOX5
SCHEMBL17845069 0.78 APP (0.48) FFAR1
SCHEMBL9300890 0.78 MAPT (0.46) FFAR1
SCHEMBL9195927 0.76 ACACB (0.49) ALOX5FFAR1
SCHEMBL9190073 0.76 FFAR1 (0.47) FFAR1
SCHEMBL9707327 0.76 ALOX5 (0.56) 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-5326902-A Oxyalkyne compounds, pharmaceutical compositions containing them and processes for preparing such compounds and compositions GRUENENTHAL GMBH (DE) 1994-07-05 US disclosed