SCHEMBL14765964

SCHEMBL14765964

C=CCCOc1ccc(C2CCC(COc3ccc(C4CCC(OCCCC)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
ACACB O00763 1/20 0.30

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
SCHEMBL14766808 1.00 SCN9A (0.33) SCN9ACNR2CNR1ALOX5APFEN1
SCHEMBL14766530 0.97 CNR2 (0.32) SCN9ACNR2CNR1ALOX5APFEN1
SCHEMBL14766689 0.97 CNR2 (0.32) SCN9ACNR2CNR1ALOX5APFEN1
SCHEMBL14765755 0.94 SCN9A (0.36) SCN9ACNR2
SCHEMBL14766939 0.93 LRRK2 (0.33) SCN9ACNR2CNR1ALOX5APFEN1
SCHEMBL14766031 0.93 LRRK2 (0.33) SCN9ACNR2CNR1ALOX5APFEN1
SCHEMBL14766301 0.92 SCN9A (0.33) SCN9AACACB
SCHEMBL14766176 0.92 FFAR1 (0.32) SCN9AACACB
SCHEMBL14765812 0.92 ALOX5AP (0.35) SCN9ACNR2CNR1ALOX5APFEN1
SCHEMBL14766861 0.92 ALOX5AP (0.35) SCN9ACNR2CNR1ALOX5APFEN1

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed