SCHEMBL9475172

SCHEMBL9475172

NC(=O)N(O)Cc1cccc(C#Cc2ccc(F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGES O14684 13/20 0.43
ALOX5 P09917 4/20 0.42
FFAR1 O14842 3/20 0.42
EPHX2 P34913 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
SCHEMBL9475487 0.86 PTGES (0.55) PTGESALOX5FFAR1
SCHEMBL9476259 0.83 PTGES (0.58) PTGESALOX5FFAR1
SCHEMBL9476560 0.83 ALOX5 (0.46) PTGESALOX5
SCHEMBL9476517 0.79 FFAR1 (0.41) PTGESALOX5FFAR1EPHX2
SCHEMBL9474987 0.79 PTGES (0.61) PTGESALOX5FFAR1
SCHEMBL9476552 0.77 HRH3 (0.48) PTGESALOX5
SCHEMBL9192563 0.74 PTGES (0.56) PTGESALOX5
SCHEMBL9476486 0.74 ALOX5 (0.54) ALOX5EPHX2
SCHEMBL9197210 0.73 PTGES (0.58) PTGESALOX5FFAR1
SCHEMBL9300024 0.73 ALOX5 (0.43) ALOX5FFAR1EPHX2

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