SCHEMBL20117669

SCHEMBL20117669

CC1CCC(COc2cc3c(c(F)c2F)-c2c-3ccc(C3CCC(C)CC3)c2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.43
ALOX5AP P20292 3/20 0.37
FEN1 P39748 3/20 0.37
HPGD P15428 1/20 0.35
CNR2 P34972 7/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
CNR1 P21554 2/20 0.33
SCN5A Q14524 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
SCHEMBL20117671 0.94 SCN9A (0.39) SCN9AALOX5APFEN1HPGDCNR2
SCHEMBL20117901 0.92 SCN9A (0.38) SCN9AALOX5APFEN1HPGDCNR2
SCHEMBL20117735 0.89 SCN9A (0.36) SCN9AALOX5APFEN1HPGDCNR2
SCHEMBL20111240 0.85 SCN9A (0.35) SCN9AHPGDHTR2AHTR2CHTR2B
SCHEMBL20111364 0.85 ALOX5AP (0.39) SCN9AALOX5APFEN1CNR2SCN5A
SCHEMBL20111285 0.84 HPGD (0.36) SCN9AHPGDHTR2AHTR2CHTR2B
SCHEMBL20111270 0.84 HPGD (0.36) SCN9AHPGDHTR2AHTR2CHTR2B
SCHEMBL20117747 0.84 HPGD (0.36) SCN9AHPGDHTR2AHTR2CHTR2B
SCHEMBL20102565 0.84 ALOX5AP (0.33) SCN9AALOX5APFEN1CNR2HTR2A
SCHEMBL20111307 0.84 ALOX5AP (0.34) ALOX5APFEN1

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
EP-3315583-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-05-02 EP disclosed