SCHEMBL9855069

SCHEMBL9855069

CCCCCc1ccc(C#Cc2ccc(OCC)cc2)nn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.43
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CACNA2D1 P54289 1/20 0.39
NQO1 P15559 1/20 0.38
TP53 P04637 1/20 0.35

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
SCHEMBL9855319 0.99 ACACB (0.42) ACACBMAPTRAB9AL3MBTL1CACNA2D1
SCHEMBL9855927 0.99 ACACB (0.42) ACACBMAPTRAB9AL3MBTL1CACNA2D1
SCHEMBL9855585 0.99 ACACB (0.42) ACACBMAPTRAB9AL3MBTL1CACNA2D1
SCHEMBL9855580 0.96 ACACB (0.44) ACACBMAPTRAB9AL3MBTL1NQO1
SCHEMBL9855280 0.93 ACACB (0.44) ACACBL3MBTL1
SCHEMBL9855160 0.92 ACACB (0.43) ACACBL3MBTL1TP53
SCHEMBL9854873 0.92 ACACB (0.43) ACACBL3MBTL1TP53
SCHEMBL10511071 0.92 ACACB (0.43) ACACBL3MBTL1TP53
SCHEMBL9855235 0.92 ACACB (0.43) ACACBL3MBTL1TP53
SCHEMBL9855194 0.91 ACACB (0.43) ACACBL3MBTL1

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