SCHEMBL9476259

SCHEMBL9476259

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

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGES O14684 12/20 0.58
FFAR1 O14842 3/20 0.48
ALOX5 P09917 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
APP P05067 2/20 0.41

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
SCHEMBL9197316 0.89 PTGES (0.59) PTGESFFAR1ALOX5APP
SCHEMBL9475172 0.83 PTGES (0.43) PTGESFFAR1ALOX5
SCHEMBL9475487 0.83 PTGES (0.55) PTGESFFAR1ALOX5
SCHEMBL9474987 0.83 PTGES (0.61) PTGESFFAR1ALOX5
SCHEMBL9476560 0.82 ALOX5 (0.46) PTGESALOX5
SCHEMBL9196097 0.78 PTGES (0.56) PTGESFFAR1APP
SCHEMBL9475768 0.77 ALOX5 (0.60) PTGESFFAR1ALOX5CA12CA1
SCHEMBL9376674 0.74 AKR1C3 (0.56) ALOX5
SCHEMBL9192563 0.74 PTGES (0.56) PTGESALOX5
SCHEMBL9476552 0.74 HRH3 (0.48) PTGESALOX5

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-5202349-A Lipoxygenase inhibitors, antiasthatics GRUENENTHAL GMBH (DE) 1993-04-13 US disclosed