SCHEMBL19985249

SCHEMBL19985249

C=CCCC1CCC(C2CCC(c3ccc(OCCCCCC)c(F)c3F)CC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
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
SCHEMBL19985266 1.00 CNR1 (0.31) CNR1CNR2PTGESALOX5GABRA1
SCHEMBL19985253 1.00 CNR1 (0.31) CNR1CNR2PTGESALOX5GABRA1
SCHEMBL19985234 1.00 CNR1 (0.31) CNR1CNR2PTGESALOX5GABRA1
SCHEMBL19985264 0.99 PTGES (0.32) CNR2PTGESALOX5GABRA1GABRB2
SCHEMBL19985248 0.96 ALOX5 (0.34) CNR2PTGESALOX5SCN9A
SCHEMBL22277529 0.95 PTGES (0.33) CNR2PTGESALOX5SCN9A
SCHEMBL8963219 0.93 GABRA1 (0.33) CNR1CNR2GABRA1GABRB2
SCHEMBL8963398 0.93 GABRA1 (0.33) CNR1CNR2GABRA1GABRB2
SCHEMBL8963180 0.93 GABRA1 (0.33) CNR1CNR2GABRA1GABRB2
SCHEMBL8963396 0.93 GABRA1 (0.33) CNR1CNR2GABRA1GABRB2

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