SCHEMBL19985568

SCHEMBL19985568

C=CCCC1CCC(c2ccc(-c3ccc(OCCCCC)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CNR2 P34972 2/20 0.32
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
FPR2 P25090 1/20 0.30
SCN9A Q15858 1/20 0.30
CNR1 P21554 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
SCHEMBL19985571 0.99 GABRA1 (0.32) GABRA1GABRB2CNR2PTGESALOX5
SCHEMBL19985570 0.99 GABRA1 (0.32) GABRA1GABRB2CNR2PTGESALOX5
SCHEMBL19985569 0.99 GABRA1 (0.32) GABRA1GABRB2CNR2PTGESALOX5
SCHEMBL19985565 0.99 GABRA1 (0.32) GABRA1GABRB2CNR2PTGESALOX5
SCHEMBL19985564 0.97 PTGES (0.33) GABRA1GABRB2CNR2PTGESALOX5
SCHEMBL8935646 0.95 GABRA1 (0.35) GABRA1GABRB2CNR2FPR2CNR1
SCHEMBL8935643 0.94 GABRA1 (0.34) GABRA1GABRB2CNR2FPR2CNR1
SCHEMBL8935663 0.94 GABRA1 (0.34) GABRA1GABRB2CNR2FPR2CNR1
SCHEMBL8935681 0.94 GABRA1 (0.34) GABRA1GABRB2CNR2FPR2CNR1
SCHEMBL8935649 0.94 GABRA1 (0.34) GABRA1GABRB2CNR2FPR2CNR1

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