SCHEMBL7753084

SCHEMBL7753084

CCC[Si@H]1CC[C@H](c2ccc(-c3ccc(OC(F)(F)F)cc3)c(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.40
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 3/20 0.36
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
APP P05067 3/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
FFAR4 Q5NUL3 3/20 0.34
FFAR1 O14842 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FASN P49327 1/20 0.33
MMP12 P39900 1/20 0.32
CHEK1 O14757 1/20 0.32
PTGS2 P35354 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
SCHEMBL7753078 1.00 GRM2 (0.40) GRM2CYP3A4CYP2C9KDM1ARCOR1
SCHEMBL7753060 0.93 GRM2 (0.39) GRM2CYP3A4CYP2C9KDM1ARCOR1
SCHEMBL7753057 0.93 GRM2 (0.39) GRM2CYP3A4CYP2C9KDM1ARCOR1
SCHEMBL8538286 0.91 FFAR4 (0.38) GRM2KDM1ARCOR1FFAR4FFAR1
SCHEMBL8538287 0.91 FFAR4 (0.38) GRM2KDM1ARCOR1FFAR4FFAR1
SCHEMBL7773877 0.88 GRM2 (0.40) GRM2CYP3A4CYP2C9FFAR4FFAR1
SCHEMBL7773875 0.88 GRM2 (0.40) GRM2CYP3A4CYP2C9FFAR4FFAR1
SCHEMBL7759077 0.87 CTSK (0.36) GRM2CYP3A4CYP2C9KDM1AAPP
SCHEMBL8017659 0.87 GRM2 (0.36) GRM2CYP3A4CYP2C9KDM1ARCOR1
SCHEMBL8017658 0.87 GRM2 (0.36) GRM2CYP3A4CYP2C9KDM1ARCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0718387-B1 A liquid crystal composition and a liquid crystal display element which contains it SHINETSU CHEMICAL CO (JP) 2001-03-14 EP disclosed
EP-0650969-B1 A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 1999-05-26 EP disclosed
US-5762826-A Liquid crystal composition and a liquid crystal display element which contains it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-06-09 US disclosed
US-5730901-A Silacyclohexane compounds, preparation thereof liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-03-24 US disclosed
EP-0799878-A1 Liquid crystal compositions and liquid crystal display elements containing same Shin-Etsu Chemical Co., Ltd. (JP) 1997-10-08 EP disclosed
US-5659059-A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-08-19 US disclosed
EP-0718387-A1 A liquid crystal composition and a liquid crystal display element which contains it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-06-26 EP disclosed
EP-0650969-A1 A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it Shin-Etsu Chemical Co., Ltd. (JP) 1995-05-03 EP disclosed