SCHEMBL9195674

SCHEMBL9195674

CC(=O)N(O)Cc1ccc(C#Cc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
FFAR1 O14842 6/20 0.41
ACACB O00763 7/20 0.37
PTGES O14684 2/20 0.37
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL9478334 0.86 FFAR1 (0.40) ALOX5PTGS1PTGS2FFAR1PTGES
SCHEMBL9197210 0.77 PTGES (0.58) ALOX5PTGS1PTGS2FFAR1ACACB
SCHEMBL7344579 0.74 PTGS2 (0.46) ALOX5PTGS1PTGS2
SCHEMBL9192422 0.74 FFAR1 (0.58) ALOX5PTGS1PTGS2FFAR1ACACB
SCHEMBL9190852 0.74 FFAR1 (0.58) ALOX5PTGS1PTGS2FFAR1ACACB
SCHEMBL9192556 0.73 ALOX5 (0.45) ALOX5PTGS1PTGS2FFAR1ACACB
SCHEMBL9192563 0.72 PTGES (0.56) ALOX5PTGS1PTGS2PTGES
SCHEMBL9197154 0.72 PTGES (0.50) ACACBPTGES
Hydrochloric Acid SCHEMBL7099233 0.71 SLC7A5 (0.51) PTGS1PTGS2FFAR1ACACBKDM4E
Hydrochloric Acid SCHEMBL7099236 0.71 SLC7A5 (0.51) PTGS1PTGS2FFAR1ACACBKDM4E

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