SCHEMBL9854876

SCHEMBL9854876

CCCc1ccc(C#Cc2ccc(C)nn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.42
ACACB O00763 9/20 0.40
GRM5 P41594 2/20 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
SCHEMBL9855140 0.92 ACACB (0.45) FFAR1ACACBGRM5
SCHEMBL9854976 0.91 ACACB (0.41) FFAR1ACACBGRM5
SCHEMBL9854914 0.89 HSD17B10 (0.44) FFAR1ACACB
SCHEMBL9855116 0.88 HSD17B10 (0.47) FFAR1ACACB
SCHEMBL9855380 0.84 ACACB (0.40) FFAR1ACACBGRM5
SCHEMBL9855101 0.83 ACACB (0.40) FFAR1ACACBGRM5
SCHEMBL9855079 0.83 FFAR1 (0.40) FFAR1ACACBGRM5
SCHEMBL10511024 0.82 CYP19A1 (0.35) FFAR1ACACB
SCHEMBL9855956 0.81 ACACB (0.45) FFAR1ACACBGRM5
SCHEMBL9856085 0.80 ACACB (0.41) FFAR1ACACBGRM5

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-5068053-A Liquid crystals for optical apparatus MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed