SCHEMBL9190852

SCHEMBL9190852

CC(=O)N(O)Cc1ccc(C#Cc2cccs2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.58
ALOX5 P09917 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
GRM5 P41594 1/20 0.38
ERN1 O75460 1/20 0.38
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACACB O00763 3/20 0.34
FFAR4 Q5NUL3 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
PTGES O14684 2/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL9477211 0.86 FFAR1 (0.58) FFAR1ALOX5ERN1FFAR4
SCHEMBL9299899 0.81 ALOX5 (0.39) FFAR1ALOX5PTGS1PTGS2GRM5
SCHEMBL9192556 0.78 ALOX5 (0.45) FFAR1ALOX5PTGS1PTGS2GRM5
SCHEMBL9195264 0.75 FFAR1 (0.47) FFAR1ALOX5ERN1
SCHEMBL9195674 0.74 ALOX5 (0.47) FFAR1ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL1550725 0.73 FFAR1 (1.00) FFAR1FFAR4
SCHEMBL9192422 0.73 FFAR1 (0.58) FFAR1ALOX5PTGS1PTGS2GRM5
SCHEMBL1550227 0.73 FFAR1 (0.73) FFAR1ERN1FFAR4
SCHEMBL11036116 0.72 FFAR1 (0.56) FFAR1ERN1ALDH1A1NPSR1
SCHEMBL9192563 0.71 PTGES (0.56) ALOX5PTGS1PTGS2PTGES

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