SCHEMBL9299307

SCHEMBL9299307

NC(=O)N(O)Cc1cccc(C(O)C#Cc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.41
PTGES O14684 12/20 0.40
EPHX2 P34913 3/20 0.40

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
SCHEMBL9300627 0.88 ALOX5 (0.45) ALOX5PTGES
SCHEMBL9299028 0.88 PTGES (0.45) ALOX5PTGES
SCHEMBL9299828 0.86 ALOX5 (0.36) ALOX5EPHX2
SCHEMBL9299972 0.86 ALOX5 (0.40) ALOX5EPHX2
SCHEMBL9300259 0.84 ACHE (0.39) ALOX5PTGES
SCHEMBL9300599 0.84 ALDH1A1 (0.43) ALOX5PTGES
SCHEMBL9299499 0.78 PTGES (0.42) ALOX5PTGESEPHX2
SCHEMBL9299121 0.75 ACACB (0.41) ALOX5PTGES
SCHEMBL9299660 0.75 PTGES (0.45) ALOX5PTGESEPHX2
SCHEMBL9299700 0.75 ALOX5 (0.41) ALOX5PTGES

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