SCHEMBL19985540

SCHEMBL19985540

C/C=C/C1CCC(c2ccc(-c3ccc(OCCCC)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
FPR2 P25090 2/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
GAA P10253 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL19985539 0.97 FPR2 (0.32) SCN9AFPR2ALOX5APFEN1HTR1D
SCHEMBL19985542 0.96 THRA (0.32) SCN9AFPR2ALOX5APFEN1
SCHEMBL19985552 0.96 THRA (0.32) SCN9AFPR2ALOX5APFEN1
SCHEMBL19985549 0.96 THRA (0.32) SCN9AFPR2ALOX5APFEN1
SCHEMBL19985543 0.96 THRA (0.32) SCN9AFPR2ALOX5APFEN1
SCHEMBL21614465 0.95 SCN9A (0.36) SCN9AHTR1DHTR1BGAATDP1
SCHEMBL8935246 0.95 SCN9A (0.32) SCN9AFPR2ALOX5APFEN1
SCHEMBL19985541 0.94 FPR2 (0.36) FPR2
SCHEMBL19985214 0.92 SCN9A (0.34) SCN9AHTR1DHTR1B
SCHEMBL15681288 0.92 SCN9A (0.34) SCN9AHTR1DHTR1B

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