SCHEMBL19985458

SCHEMBL19985458

CCCCOc1ccc(-c2ccc(C3CCC(C)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
FPR2 P25090 3/20 0.34
HPGD P15428 1/20 0.34
ALOX5AP P20292 6/20 0.33
FEN1 P39748 6/20 0.33
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
RAB9A P51151 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
IKBKB O14920 1/20 0.32

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
SCHEMBL19985459 0.96 HRH3 (0.34) SCN9AFPR2ALOX5APFEN1HTR1D
SCHEMBL19985462 0.95 HRH3 (0.36) SCN9AFPR2ALOX5APFEN1HTR1D
SCHEMBL19985472 0.95 HRH3 (0.36) SCN9AFPR2ALOX5APFEN1HTR1D
SCHEMBL19985461 0.95 HRH3 (0.36) SCN9AFPR2ALOX5APFEN1HTR1D
SCHEMBL19985465 0.95 HRH3 (0.36) SCN9AFPR2ALOX5APFEN1HTR1D
SCHEMBL12733630 0.95 SCN9A (0.39) SCN9AHPGDHTR1DHTR1BRAB9A
SCHEMBL14371074 0.95 SCN9A (0.39) SCN9AHPGDHTR1DHTR1BRAB9A
SCHEMBL15381627 0.95 SCN9A (0.39) SCN9AFPR2ALOX5APFEN1HTR1D
SCHEMBL19985460 0.94 FPR2 (0.39) FPR2ALOX5APFEN1HTR1DHTR1B
SCHEMBL15381582 0.92 SCN9A (0.38) SCN9AFPR2ALOX5APFEN1HTR1D

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