SCHEMBL14766530

SCHEMBL14766530

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.32
CNR1 P21554 2/20 0.32
SCN9A Q15858 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL14766689 1.00 CNR2 (0.32) CNR2CNR1SCN9AALOX5APFEN1
SCHEMBL14766808 0.97 SCN9A (0.33) CNR2CNR1SCN9AALOX5APFEN1
SCHEMBL14765964 0.97 SCN9A (0.33) CNR2CNR1SCN9AALOX5APFEN1
SCHEMBL14765676 0.94 SCN9A (0.34) CNR2CNR1SCN9AGABRA1GABRB2
SCHEMBL14766861 0.93 ALOX5AP (0.35) CNR2CNR1SCN9AALOX5APFEN1
SCHEMBL14765812 0.93 ALOX5AP (0.35) CNR2CNR1SCN9AALOX5APFEN1
SCHEMBL14765793 0.92 KDM1A (0.32) SCN9A
SCHEMBL14765903 0.92 FFAR1 (0.33)
SCHEMBL14767094 0.91 FFAR1 (0.35)
SCHEMBL14767143 0.91 FFAR1 (0.36)

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