SCHEMBL8021271

SCHEMBL8021271

CCCCC[Si@H]1CC[C@H](CCC2CCC(c3ccc(-c4ccc(OC(F)(F)F)cc4)c(F)c3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
SCN9A Q15858 1/20 0.33
MMP12 P39900 1/20 0.33
FFAR4 Q5NUL3 3/20 0.32
FFAR1 O14842 1/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 2/20 0.32
FASN P49327 1/20 0.32
KDM1A O60341 2/20 0.31
RCOR1 Q9UKL0 1/20 0.31
MAOB P27338 1/20 0.31
APP P05067 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BTK Q06187 1/20 0.30
CHEK1 O14757 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
SCHEMBL8021275 1.00 GRM2 (0.36) GRM2SCN9AMMP12FFAR4FFAR1
SCHEMBL8021273 1.00 GRM2 (0.36) GRM2SCN9AMMP12FFAR4FFAR1
SCHEMBL9008485 1.00 GRM2 (0.36) GRM2SCN9AMMP12FFAR4FFAR1
SCHEMBL7753060 0.93 GRM2 (0.39) GRM2SCN9AFFAR4FFAR1CYP3A4
SCHEMBL7753057 0.93 GRM2 (0.39) GRM2SCN9AFFAR4FFAR1CYP3A4
SCHEMBL8017658 0.92 GRM2 (0.36) GRM2SCN9AFFAR4FFAR1CYP3A4
SCHEMBL8017659 0.92 GRM2 (0.36) GRM2SCN9AFFAR4FFAR1CYP3A4
SCHEMBL7773875 0.89 GRM2 (0.40) GRM2SCN9AFFAR4FFAR1CYP3A4
SCHEMBL7773877 0.89 GRM2 (0.40) GRM2SCN9AFFAR4FFAR1CYP3A4
SCHEMBL9008458 0.88 CYP3A4 (0.35) CYP3A4CYP2C9FASNAPPCYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670322-B1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 2000-01-19 EP disclosed
US-5582764-A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-12-10 US disclosed
EP-0670322-A1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it Shin-Etsu Chemical Co., Ltd. (JP) 1995-09-06 EP disclosed