SCHEMBL9476552

SCHEMBL9476552

NC(=O)N(O)Cc1cccc(C#Cc2cccc3ccccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
ACACB O00763 1/20 0.43
PTGES O14684 12/20 0.41
ALOX5 P09917 3/20 0.41
CHAT P28329 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL9192515 0.88 HRH3 (0.48) HRH3ACACBPTGESALOX5CHAT
SCHEMBL9476517 0.85 FFAR1 (0.41) PTGESALOX5
SCHEMBL9476560 0.84 ALOX5 (0.46) ACACBPTGESALOX5
SCHEMBL9474987 0.82 PTGES (0.61) PTGESALOX5
SCHEMBL9475487 0.77 PTGES (0.55) PTGESALOX5
SCHEMBL9475172 0.77 PTGES (0.43) PTGESALOX5
SCHEMBL9476259 0.74 PTGES (0.58) PTGESALOX5
SCHEMBL234203 0.73 HRH3 (0.53) HRH3ACACBPTGESCHAT
SCHEMBL9195229 0.71 ACACB (0.48) ACACBPTGESALOX5
SCHEMBL9193618 0.71 PTGES (0.62) 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