SCHEMBL28039760

SCHEMBL28039760

CC(O)c1ccc(C#Cc2ccc([C]=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
ACACB O00763 16/20 0.39
NOS3 P29474 1/20 0.37
NOS1 P29475 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
SCHEMBL28039509 1.00 FFAR1 (0.43) FFAR1ACACBNOS3NOS1
SCHEMBL28039510 1.00 FFAR1 (0.43) FFAR1ACACBNOS3NOS1
SCHEMBL9340095 0.94 NOS3 (0.41) FFAR1ACACBNOS3NOS1
SCHEMBL28205272 0.81 NOS3 (0.37) FFAR1ACACBNOS3NOS1
SCHEMBL28205269 0.81 NOS3 (0.37) FFAR1ACACBNOS3NOS1
SCHEMBL28205268 0.81 NOS3 (0.37) FFAR1ACACBNOS3NOS1
SCHEMBL28039740 0.76 FFAR1 (0.38) FFAR1ACACB
SCHEMBL28039529 0.76 FFAR1 (0.38) FFAR1ACACB
SCHEMBL28039783 0.76 FFAR1 (0.38) FFAR1ACACB
SCHEMBL3027502 0.75 TYR (0.46) ACACB

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
CN-105073710-A Novel hydroxamic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD 2015-11-18 CN disclosed