SCHEMBL19985291

SCHEMBL19985291

C=CCCOc1ccc(C2CCC(C3CCC(CCCC)CC3)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.32
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL19985292 0.97 SCN9A (0.32) SCN9AGAAMAPT
SCHEMBL19985299 0.96 GAA (0.32) SCN9AGAAMAPT
SCHEMBL19985309 0.96 GAA (0.32) SCN9AGAAMAPT
SCHEMBL19985302 0.96 GAA (0.32) SCN9AGAAMAPT
SCHEMBL4402626 0.94 ALDH1A1 (0.31) MAPTCYP2C9
SCHEMBL19985601 0.93 SCN9A (0.32) SCN9AMEN1NPC1CYP1A2GAA
SCHEMBL19985248 0.93 ALOX5 (0.34) SCN9APPARG
SCHEMBL19985264 0.92 PTGES (0.32) SCN9APPARG
SCHEMBL22277529 0.92 PTGES (0.33) SCN9APPARG
SCHEMBL4404573 0.91 ALDH1A1 (0.31) MAPTCYP2C9

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