SCHEMBL14765812

SCHEMBL14765812

CCCCOc1ccc(C2CCC(COc3ccc(C4CCC(OCCCC)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.35
FEN1 P39748 3/20 0.35
SCN9A Q15858 2/20 0.35
CNR2 P34972 8/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
CNR1 P21554 1/20 0.33
HCRTR2 O43614 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL14766861 1.00 ALOX5AP (0.35) ALOX5APFEN1SCN9ACNR2HTR2A
SCHEMBL14766949 0.96 ALOX5AP (0.34) ALOX5APFEN1SCN9ACNR2HTR2A
SCHEMBL14766159 0.96 ALOX5AP (0.34) ALOX5APFEN1SCN9ACNR2HTR2A
SCHEMBL14766761 0.96 ALOX5AP (0.34) ALOX5APFEN1SCN9ACNR2HTR2A
SCHEMBL14922536 0.94 ALOX5AP (0.38) ALOX5APFEN1SCN9ACNR2HTR2A
SCHEMBL14766530 0.93 CNR2 (0.32) ALOX5APFEN1SCN9ACNR2HTR2A
SCHEMBL14766689 0.93 CNR2 (0.32) ALOX5APFEN1SCN9ACNR2HTR2A
SCHEMBL14765964 0.92 SCN9A (0.33) ALOX5APFEN1SCN9ACNR2CNR1
SCHEMBL14766808 0.92 SCN9A (0.33) ALOX5APFEN1SCN9ACNR2CNR1
SCHEMBL1240560 0.91 ALOX5AP (0.37) ALOX5APFEN1SCN9ACNR2HTR2A

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