SCHEMBL19985533

SCHEMBL19985533

C=CC1CCC(c2ccc(-c3ccc(OCCCC)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.34
SCN9A Q15858 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
FPR2 P25090 2/20 0.32
CNR1 P21554 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL19985529 0.97 GABRA1 (0.34) CNR2SCN9AGABRA1GABRB2FPR2
SCHEMBL19985532 0.95 GABRA1 (0.34) CNR2SCN9AGABRA1GABRB2FPR2
SCHEMBL19985534 0.95 GABRA1 (0.34) CNR2SCN9AGABRA1GABRB2FPR2
SCHEMBL19985537 0.95 GABRA1 (0.34) CNR2SCN9AGABRA1GABRB2FPR2
SCHEMBL19985536 0.95 GABRA1 (0.34) CNR2SCN9AGABRA1GABRB2FPR2
SCHEMBL19884593 0.95 SCN9A (0.36) CNR2SCN9AGABRA1GABRB2CNR1
SCHEMBL8935125 0.94 CNR2 (0.37) CNR2SCN9AGABRA1GABRB2FPR2
SCHEMBL19985531 0.94 GABRA1 (0.38) GABRA1GABRB2FPR2ALOX5APFEN1
SCHEMBL15681355 0.92 SCN9A (0.35) CNR2SCN9AGABRA1GABRB2CNR1
SCHEMBL8962284 0.92 CNR2 (0.35) CNR2SCN9AGABRA1GABRB2FPR2

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