SCHEMBL9197316

SCHEMBL9197316

COc1ccc(C#Cc2cccc(CN(O)C(C)=O)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGES O14684 13/20 0.59
ALOX5 P09917 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
FFAR1 O14842 3/20 0.49
ACACB O00763 1/20 0.44
APP P05067 1/20 0.42

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
SCHEMBL9476259 0.89 PTGES (0.58) PTGESALOX5FFAR1APP
SCHEMBL9192563 0.86 PTGES (0.56) PTGESALOX5PTGS1PTGS2
SCHEMBL9197210 0.84 PTGES (0.58) PTGESALOX5PTGS1PTGS2FFAR1
SCHEMBL9196097 0.84 PTGES (0.56) PTGESFFAR1ACACBAPP
SCHEMBL9195229 0.83 ACACB (0.48) PTGESALOX5PTGS1PTGS2ACACB
SCHEMBL9193618 0.82 PTGES (0.62) PTGESALOX5PTGS1PTGS2FFAR1
SCHEMBL9197154 0.82 PTGES (0.50) PTGESACACB
SCHEMBL9197649 0.77 PTGES (0.59) PTGESALOX5PTGS1PTGS2FFAR1
SCHEMBL9191848 0.76 PTGES (0.50) PTGESALOX5FFAR1ACACB
SCHEMBL9192515 0.75 HRH3 (0.48) PTGESALOX5PTGS1PTGS2ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4243856-A None JP disclosed
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
JP-H04243856-A SUBSTITUTED PHENYLACETYLENE, MEDICINE CONTAINING THE SAME AND PRODUCTION OF THE COMPOUND AND THE MEDICINE GRUENENTHAL GMBH 1992-08-31 JP 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