SCHEMBL8393129

SCHEMBL8393129

CCCCC[Si@H]1CC[C@H](c2ccc(-c3ccc(OCCC)cc3F)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.38
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
NPC1 O15118 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
C3AR1 Q16581 1/20 0.33
SLC2A1 P11166 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
PDK2 Q15119 1/20 0.33

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
SCHEMBL8393126 1.00 CRBN (0.38) CRBNLMNAALDH1A1MAPTTHRA
SCHEMBL7770228 0.87 S1PR1 (0.40) CRBNLMNAALDH1A1C3AR1
SCHEMBL7770231 0.87 S1PR1 (0.40) CRBNLMNAALDH1A1C3AR1
SCHEMBL8540890 0.86 FFAR4 (0.38) CYP1A2
SCHEMBL8540893 0.86 FFAR4 (0.38) CYP1A2
SCHEMBL8440138 0.84 FFAR4 (0.39) LMNAALDH1A1MAPTCYP2D6CYP2C19
SCHEMBL8440137 0.84 FFAR4 (0.39) LMNAALDH1A1MAPTCYP2D6CYP2C19
SCHEMBL8397589 0.83 MAOB (0.36) CRBNALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL7771011 0.82 FFAR4 (0.40) LMNAALDH1A1RAB9AC3AR1
SCHEMBL7771013 0.82 FFAR4 (0.40) LMNAALDH1A1RAB9AC3AR1

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-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-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-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