SCHEMBL9300627

SCHEMBL9300627

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
PTGES O14684 17/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9299307 0.88 ALOX5 (0.41) ALOX5PTGES
SCHEMBL9299727 0.86 FFAR1 (0.38) ALOX5PTGS1PTGS2
SCHEMBL9298814 0.86 ALOX5 (0.51) ALOX5PTGS1PTGS2PTGESMEN1
SCHEMBL9299121 0.84 ACACB (0.41) ALOX5PTGS1PTGS2PTGESMEN1
SCHEMBL9192563 0.82 PTGES (0.56) ALOX5PTGS1PTGS2PTGES
SCHEMBL9299666 0.78 PTGES (0.44) ALOX5PTGS1PTGS2PTGES
SCHEMBL9300204 0.76 PTGES (0.46) ALOX5PTGS1PTGS2PTGESMEN1
SCHEMBL9299028 0.76 PTGES (0.45) ALOX5PTGES
SCHEMBL9300259 0.75 ACHE (0.39) ALOX5PTGESMEN1KMT2A
SCHEMBL9197154 0.75 PTGES (0.50) PTGES

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