SCHEMBL9512376

SCHEMBL9512376

CCCCc1ccc(C#Cc2ccc(OCC)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 18/20 0.39
NQO1 P15559 1/20 0.38
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL9508900 0.96 MAPT (0.41) ACACBNQO1MAPTRAB9AL3MBTL1
SCHEMBL9512289 0.93 ACACB (0.39) ACACBL3MBTL1
SCHEMBL9508844 0.92 ACACB (0.40) ACACBNQO1
SCHEMBL10511640 0.92 MAPT (0.37) ACACBMAPTRAB9AL3MBTL1
SCHEMBL9512387 0.91 ACACB (0.41) ACACB
SCHEMBL9511459 0.89 APP (0.41) ACACBMAPTL3MBTL1
SCHEMBL9512426 0.89 CNR2 (0.40) ACACBL3MBTL1
SCHEMBL9512534 0.88 CNR2 (0.42) L3MBTL1
SCHEMBL9510156 0.88 ACACB (0.39) ACACBRAB9AL3MBTL1
SCHEMBL9511360 0.87 ACACB (0.41) 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
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP disclosed