SCHEMBL19985553

SCHEMBL19985553

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.33
CNR2 P34972 4/20 0.33
S1PR5 Q9H228 2/20 0.33
S1PR1 P21453 1/20 0.33
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
THRA P10827 1/20 0.31
THRB P10828 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

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
SCHEMBL19985547 1.00 CNR1 (0.33) CNR1CNR2S1PR5S1PR1ALOX5AP
SCHEMBL19985554 1.00 CNR1 (0.33) CNR1CNR2S1PR5S1PR1ALOX5AP
SCHEMBL19985555 1.00 CNR1 (0.33) CNR1CNR2S1PR5S1PR1ALOX5AP
SCHEMBL19985550 0.99 ALOX5AP (0.32) CNR1CNR2S1PR5S1PR1ALOX5AP
SCHEMBL19985545 0.96 SCN9A (0.33) ALOX5APFEN1FPR2SCN9A
SCHEMBL19985251 0.93 CNR1 (0.33) CNR1CNR2S1PR5S1PR1THRA
SCHEMBL19985225 0.93 CNR1 (0.33) CNR1CNR2S1PR5S1PR1THRA
SCHEMBL19985227 0.93 CNR1 (0.33) CNR1CNR2S1PR5S1PR1THRA
SCHEMBL19985217 0.93 CNR1 (0.33) CNR1CNR2S1PR5S1PR1THRA
SCHEMBL19985548 0.93 FPR2 (0.35) ALOX5APFEN1FPR2

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