SCHEMBL19985601

SCHEMBL19985601

C=CCCOc1ccc(-c2ccc(C3CCC(CCCC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
FPR2 P25090 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL19985610 0.97 GAA (0.32) SCN9AGAAMAPTGABRA1GABRB2
SCHEMBL19985626 0.96 GAA (0.33) SCN9AGAAMAPT
SCHEMBL19985615 0.96 GAA (0.33) SCN9AGAAMAPT
SCHEMBL19985622 0.96 GAA (0.33) SCN9AGAAMAPT
SCHEMBL19985595 0.94 GABRA1 (0.31) MAPTCYP2C9GABRA1GABRB2FPR2
SCHEMBL19985564 0.93 PTGES (0.33) SCN9AGABRA1GABRB2FPR2ALOX5AP
SCHEMBL19985291 0.93 SCN9A (0.32) SCN9AMEN1NPC1CYP1A2GAA
SCHEMBL19985568 0.92 GABRA1 (0.32) SCN9AGABRA1GABRB2FPR2ALOX5AP
SCHEMBL19985565 0.91 GABRA1 (0.32) GAAMAPTGABRA1GABRB2
SCHEMBL19985571 0.91 GABRA1 (0.32) GAAMAPTGABRA1GABRB2

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 2 patents. 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
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed