SCHEMBL9475487

SCHEMBL9475487

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

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGES O14684 15/20 0.55
AKR1C3 P42330 3/20 0.52
FFAR1 O14842 2/20 0.42
ALOX5 P09917 1/20 0.41
AOC3 Q16853 1/20 0.40

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
SCHEMBL9475172 0.86 PTGES (0.43) PTGESFFAR1ALOX5
SCHEMBL9197210 0.86 PTGES (0.58) PTGESAKR1C3FFAR1ALOX5
SCHEMBL9476259 0.83 PTGES (0.58) PTGESFFAR1ALOX5
SCHEMBL9476560 0.83 ALOX5 (0.46) PTGESALOX5
SCHEMBL9476552 0.77 HRH3 (0.48) PTGESALOX5
SCHEMBL9476517 0.77 FFAR1 (0.41) PTGESFFAR1ALOX5
SCHEMBL9478334 0.77 FFAR1 (0.40) PTGESFFAR1ALOX5
SCHEMBL9474987 0.76 PTGES (0.61) PTGESFFAR1ALOX5
SCHEMBL9192563 0.74 PTGES (0.56) PTGESALOX5
SCHEMBL9476083 0.74 ALOX5 (0.52) PTGESAKR1C3ALOX5

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