SCHEMBL19985264

SCHEMBL19985264

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
SCN9A Q15858 1/20 0.31
CNR2 P34972 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
SCHEMBL19985249 0.99 CNR1 (0.31) PTGESALOX5GABRA1GABRB2SCN9A
SCHEMBL19985234 0.99 CNR1 (0.31) PTGESALOX5GABRA1GABRB2SCN9A
SCHEMBL19985266 0.99 CNR1 (0.31) PTGESALOX5GABRA1GABRB2SCN9A
SCHEMBL19985253 0.99 CNR1 (0.31) PTGESALOX5GABRA1GABRB2SCN9A
SCHEMBL19985248 0.97 ALOX5 (0.34) PTGESALOX5SCN9ACNR2PPARG
SCHEMBL22277529 0.96 PTGES (0.33) PTGESALOX5SCN9ACNR2PPARG
SCHEMBL19985245 0.94 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL8963328 0.93 GABRA1 (0.33) GABRA1GABRB2CNR2
SCHEMBL19985292 0.93 SCN9A (0.32) SCN9A
SCHEMBL19985568 0.93 GABRA1 (0.32) PTGESALOX5GABRA1GABRB2SCN9A

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