SCHEMBL9195229

SCHEMBL9195229

CC(=O)N(O)Cc1cccc(C#Cc2ccc3ccccc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.48
ALOX5 P09917 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
PTGES O14684 14/20 0.45
ASIC3 Q9UHC3 1/20 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
SCHEMBL9192563 0.88 PTGES (0.56) ALOX5PTGS1PTGS2PTGES
SCHEMBL9476560 0.87 ALOX5 (0.46) ACACBALOX5PTGESASIC3
SCHEMBL9192515 0.84 HRH3 (0.48) ACACBALOX5PTGS1PTGS2PTGES
SCHEMBL9197154 0.83 PTGES (0.50) ACACBPTGES
SCHEMBL9197316 0.83 PTGES (0.59) ACACBALOX5PTGS1PTGS2PTGES
SCHEMBL9197210 0.83 PTGES (0.58) ACACBALOX5PTGS1PTGS2PTGES
SCHEMBL9193618 0.79 PTGES (0.62) ALOX5PTGS1PTGS2PTGES
SCHEMBL9197649 0.78 PTGES (0.59) ALOX5PTGS1PTGS2PTGES
SCHEMBL3864253 0.73 ASIC3 (0.47) ACACBPTGESASIC3
SCHEMBL9707284 0.72 ALOX5 (0.75) ALOX5PTGS1PTGS2

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