SCHEMBL9855101

SCHEMBL9855101

CCCc1ccc(C#Cc2ccc(CC)nn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.40
GRM5 P41594 1/20 0.36
FFAR1 O14842 5/20 0.35
CYP19A1 P11511 1/20 0.34

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
SCHEMBL9855380 0.92 ACACB (0.40) ACACBGRM5FFAR1CYP19A1
SCHEMBL9855045 0.91 ACACB (0.41) ACACBGRM5FFAR1
SCHEMBL9855140 0.90 ACACB (0.45) ACACBGRM5FFAR1
SCHEMBL9854942 0.90 HSD17B10 (0.43) ACACBFFAR1CYP19A1
SCHEMBL9855565 0.88 HSD17B10 (0.46) ACACBFFAR1CYP19A1
SCHEMBL9856085 0.88 ACACB (0.41) ACACBGRM5FFAR1CYP19A1
SCHEMBL9855291 0.87 ACACB (0.40) ACACBGRM5FFAR1CYP19A1
SCHEMBL9855244 0.85 HSD17B10 (0.42) ACACBFFAR1CYP19A1
SCHEMBL9854921 0.85 HSD17B10 (0.42) ACACBFFAR1CYP19A1
SCHEMBL9855622 0.85 HSD17B10 (0.42) ACACBFFAR1CYP19A1

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