SCHEMBL19985564

SCHEMBL19985564

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
SCN9A Q15858 1/20 0.32
CNR2 P34972 2/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
FPR2 P25090 2/20 0.31
CNR1 P21554 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
PPARG P37231 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
SCHEMBL19985568 0.97 GABRA1 (0.32) PTGESALOX5SCN9ACNR2GABRA1
SCHEMBL19985571 0.96 GABRA1 (0.32) PTGESALOX5CNR2GABRA1GABRB2
SCHEMBL19985570 0.96 GABRA1 (0.32) PTGESALOX5CNR2GABRA1GABRB2
SCHEMBL19985565 0.96 GABRA1 (0.32) PTGESALOX5CNR2GABRA1GABRB2
SCHEMBL19985569 0.96 GABRA1 (0.32) PTGESALOX5CNR2GABRA1GABRB2
SCHEMBL8935635 0.95 CNR2 (0.35) PTGESALOX5SCN9ACNR2GABRA1
SCHEMBL19985567 0.95 GABRA1 (0.35) CNR2GABRA1GABRB2FPR2ALOX5AP
SCHEMBL19985601 0.93 SCN9A (0.32) SCN9AGABRA1GABRB2FPR2ALOX5AP
SCHEMBL19985248 0.93 ALOX5 (0.34) PTGESALOX5SCN9ACNR2PPARG
SCHEMBL8963123 0.92 CNR2 (0.33) PTGESALOX5CNR2GABRA1GABRB2

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