SCHEMBL19985475

SCHEMBL19985475

CCCCCCCCOc1ccc(-c2ccc(C3CCC(CC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
MCHR1 Q99705 2/20 0.33
IKBKB O14920 3/20 0.33
FPR2 P25090 3/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
SCN9A Q15858 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL19985476 1.00 CNR1 (0.34) CNR1CNR2MCHR1IKBKBFPR2
SCHEMBL19985466 1.00 CNR1 (0.34) CNR1CNR2MCHR1IKBKBFPR2
SCHEMBL19985473 1.00 CNR1 (0.34) CNR1CNR2MCHR1IKBKBFPR2
SCHEMBL19985464 0.99 ALOX5AP (0.33) CNR1CNR2MCHR1IKBKBFPR2
SCHEMBL19985470 0.95 SCN9A (0.36) MCHR1IKBKBFPR2ALOX5APFEN1
SCHEMBL9406431 0.95 CNR1 (0.36) CNR1CNR2MCHR1IKBKBFPR2
SCHEMBL9406427 0.95 CNR1 (0.36) CNR1CNR2MCHR1IKBKBFPR2
SCHEMBL9630338 0.94 SCN9A (0.35) CNR1CNR2MCHR1IKBKBFPR2
SCHEMBL9630343 0.94 SCN9A (0.35) CNR1CNR2MCHR1IKBKBFPR2
SCHEMBL19985527 0.92 GAA (0.37) CNR1CNR2MCHR1IKBKBFPR2

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