SCHEMBL9299727

SCHEMBL9299727

CC(=O)N(O)Cc1cccc(C(O)C#Cc2ccsc2)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.38
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
GRM5 P41594 1/20 0.32

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
SCHEMBL9299828 0.89 ALOX5 (0.36) FFAR1ALOX5GRM5
SCHEMBL9299977 0.87 ALOX5 (0.39) FFAR1ALOX5PTGS1PTGS2GRM5
SCHEMBL9300627 0.86 ALOX5 (0.45) ALOX5PTGS1PTGS2
SCHEMBL9299121 0.81 ACACB (0.41) ALOX5PTGS1PTGS2
SCHEMBL9299297 0.76 ALOX5 (0.37) FFAR1ALOX5GRM5
SCHEMBL9192556 0.76 ALOX5 (0.45) FFAR1ALOX5PTGS1PTGS2GRM5
SCHEMBL9299307 0.74 ALOX5 (0.41) ALOX5
SCHEMBL9298814 0.72 ALOX5 (0.51) FFAR1ALOX5PTGS1PTGS2
SCHEMBL9299666 0.72 PTGES (0.44) ALOX5PTGS1PTGS2GRM5
SCHEMBL9300259 0.72 ACHE (0.39) ALOX5

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-5326902-A Oxyalkyne compounds, pharmaceutical compositions containing them and processes for preparing such compounds and compositions GRUENENTHAL GMBH (DE) 1994-07-05 US disclosed