SCHEMBL19985556

SCHEMBL19985556

CC/C=C\CC1CCC(c2ccc(-c3ccc(OCCCCCC)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
S1PR5 Q9H228 2/20 0.31
S1PR1 P21453 1/20 0.31
IKBKB O14920 2/20 0.30
FPR2 P25090 1/20 0.30
MCHR1 Q99705 1/20 0.30
SCN9A Q15858 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL19985563 1.00 CNR1 (0.31) CNR1CNR2S1PR5S1PR1IKBKB
SCHEMBL19985562 1.00 CNR1 (0.31) CNR1CNR2S1PR5S1PR1IKBKB
SCHEMBL19985561 1.00 CNR1 (0.31) CNR1CNR2S1PR5S1PR1IKBKB
SCHEMBL19985559 0.99 FPR2 (0.31) FPR2SCN9AALOX5APFEN1
SCHEMBL19985557 0.96 SCN9A (0.33) FPR2SCN9AALOX5APFEN1
SCHEMBL19985254 0.93 CNR1 (0.32) CNR1CNR2S1PR5S1PR1SCN9A
SCHEMBL19985256 0.93 CNR1 (0.32) CNR1CNR2S1PR5S1PR1SCN9A
SCHEMBL19985231 0.93 CNR1 (0.32) CNR1CNR2S1PR5S1PR1SCN9A
SCHEMBL19985258 0.93 CNR1 (0.32) CNR1CNR2S1PR5S1PR1SCN9A
SCHEMBL19985560 0.93 FPR2 (0.35) FPR2ALOX5APFEN1

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