SCHEMBL14922643

SCHEMBL14922643

CCCCOc1ccc(C2CCC(COc3ccc(C4CCC(c5ccc(OCC)c(F)c5F)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.37
FEN1 P39748 3/20 0.37
SCN9A Q15858 4/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
CNR2 P34972 6/20 0.35
CNR1 P21554 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SSTR5 P35346 1/20 0.34
KCNH2 Q12809 1/20 0.34
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL1240560 1.00 ALOX5AP (0.37) ALOX5APFEN1SCN9AHTR2AHTR2C
SCHEMBL1240559 1.00 ALOX5AP (0.37) ALOX5APFEN1SCN9AHTR2AHTR2C
SCHEMBL14922536 0.97 ALOX5AP (0.38) ALOX5APFEN1SCN9AHTR2AHTR2C
SCHEMBL15381688 0.95 FEN1 (0.39) ALOX5APFEN1SCN9AHTR2AHTR2C
SCHEMBL15381723 0.95 FEN1 (0.39) ALOX5APFEN1SCN9AHTR2AHTR2C
SCHEMBL2509013 0.94 ALOX5AP (0.36) ALOX5APFEN1SCN9AHTR2AHTR2C
SCHEMBL2509015 0.94 ALOX5AP (0.36) ALOX5APFEN1SCN9AHTR2AHTR2C
SCHEMBL14922662 0.94 ALOX5AP (0.37) ALOX5APFEN1SCN9AHTR2AHTR2C
SCHEMBL14766949 0.93 ALOX5AP (0.34) ALOX5APFEN1SCN9AHTR2AHTR2C
SCHEMBL12735788 0.93 SCN9A (0.41) ALOX5APFEN1SCN9AHTR2AHTR2C

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-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 US disclosed