SCHEMBL19985470

SCHEMBL19985470

CCCCOc1ccc(-c2ccc(C3CCC(CC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
ALOX5AP P20292 8/20 0.34
FEN1 P39748 8/20 0.34
FPR2 P25090 4/20 0.34
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
IKBKB O14920 1/20 0.31
MCHR1 Q99705 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL19985464 0.96 ALOX5AP (0.33) SCN9AALOX5APFEN1FPR2HTR1D
SCHEMBL19985476 0.95 CNR1 (0.34) SCN9AALOX5APFEN1FPR2HTR1D
SCHEMBL19985475 0.95 CNR1 (0.34) SCN9AALOX5APFEN1FPR2HTR1D
SCHEMBL19985466 0.95 CNR1 (0.34) SCN9AALOX5APFEN1FPR2HTR1D
SCHEMBL19985473 0.95 CNR1 (0.34) SCN9AALOX5APFEN1FPR2HTR1D
SCHEMBL25693792 0.95 SCN9A (0.38) SCN9AALOX5APFEN1HTR1DHTR1B
SCHEMBL19985468 0.94 FPR2 (0.38) ALOX5APFEN1FPR2HTR1DHTR1B
SCHEMBL15381627 0.94 SCN9A (0.39) SCN9AALOX5APFEN1FPR2HTR1D
SCHEMBL14922542 0.93 SCN9A (0.36) SCN9AALOX5APFEN1FPR2HTR1D
SCHEMBL19985483 0.91 SCN9A (0.35) SCN9AALOX5APFEN1FPR2HTR1D

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-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed