SCHEMBL9855580

SCHEMBL9855580

CCCCc1ccc(C#Cc2ccc(OCC)cc2)nn1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.44
NQO1 P15559 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL9855069 0.96 ACACB (0.43) ACACBNQO1MAPTRAB9AL3MBTL1
SCHEMBL9855585 0.95 ACACB (0.42) ACACBNQO1HPGDMAPTRAB9A
SCHEMBL9855319 0.95 ACACB (0.42) ACACBNQO1HPGDMAPTRAB9A
SCHEMBL9855927 0.95 ACACB (0.42) ACACBNQO1HPGDMAPTRAB9A
SCHEMBL9855008 0.93 ACACB (0.45) ACACBLMNAMAPTRAB9A
SCHEMBL9854843 0.92 ACACB (0.45) ACACBNQO1MAPT
SCHEMBL9855408 0.90 ACACB (0.43) ACACB
SCHEMBL9855280 0.89 ACACB (0.44) ACACBLMNAHPGDL3MBTL1
SCHEMBL9855700 0.89 HRH2 (0.42) ACACBMAPT
SCHEMBL9855160 0.88 ACACB (0.43) ACACBLMNAHPGDL3MBTL1TP53

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