SCHEMBL19999364

SCHEMBL19999364

CCCCOc1ccc(C#Cc2c(F)cc(CCCC)cc2CC)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.43
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
FAAH O00519 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 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
SCHEMBL19999391 0.85 RARB (0.36) ACACBRARARARB
SCHEMBL20004754 0.85 ACACB (0.40) ACACBRARARARBHTTRECQL
SCHEMBL29306133 0.84 ACACB (0.39) ACACBRARARARB
SCHEMBL19999371 0.84 PTGES (0.35) ACACB
SCHEMBL23333353 0.83 ACACB (0.41) ACACBRARARARB
SCHEMBL29306134 0.82 ACACB (0.38) ACACBRARARARB
SCHEMBL8755463 0.81 MAPT (0.43) ACACBRARARARB
SCHEMBL29306142 0.81 MEN1 (0.39) ACACBRARARARB
SCHEMBL20004768 0.81 RARB (0.45) ACACBRARARARB
SCHEMBL23333349 0.80 ACACB (0.40) ACACBRARARARB

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-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 US disclosed