SCHEMBL8003567

SCHEMBL8003567

CCCCC[Si]1(c2ccccc2)CCC(C2CCCCC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
BCHE P06276 3/20 0.32
CNR2 P34972 7/20 0.32
CNR1 P21554 5/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
ICMT O60725 1/20 0.31
ALB P02768 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
NR5A2 O00482 1/20 0.31
NR5A1 Q13285 1/20 0.31
ACHE P22303 1/20 0.30
CHRM3 P20309 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
SCHEMBL8017954 0.89 L3MBTL1 (0.33) L3MBTL1
SCHEMBL7767036 0.86 KCNH2 (0.33) KCNH2
SCHEMBL7767031 0.86 KCNH2 (0.33) KCNH2
SCHEMBL8917942 0.86 KCNH2 (0.33) KCNH2
SCHEMBL7767041 0.86 KCNH2 (0.33) KCNH2
SCHEMBL8456718 0.85
SCHEMBL7755593 0.85 KCNH2 (0.32) KCNH2
SCHEMBL8031171 0.84 PTGS2 (0.33) KCNH2SIGMAR1
SCHEMBL8732796 0.83 KCNH2 (0.34) KCNH2CNR2CNR1
SCHEMBL7762442 0.83 KCNH2 (0.34) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713878-B1 A method of manufacturing a trans silacyclohexane compound SHINETSU CHEMICAL CO (JP) 2000-02-16 EP disclosed
EP-0692485-B1 Cyclohexane carbaldehyde compounds and processes for preparing silacyclohexane-based liquid crystal compounds from the carbaldehyde compound SHINETSU CHEMICAL CO (JP) 2000-01-05 EP disclosed
US-6004478-A LIQUID CRYSTAL SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-12-21 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-0742222-A2 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-11-13 EP disclosed
US-5560866-A Process for preparing silacyclohexane compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-10-01 US disclosed
EP-0732335-A1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-09-18 EP disclosed
EP-0713878-A1 A method of manufacturing a trans silacyclohexane compound Shin-Etsu Chemical Co., Ltd. (JP) 1996-05-29 EP disclosed
US-5519156-A Cyclohexane carbaldehyde compounds and processes for preparing silacyclohexane-based liquid crystal compounds from the carbaldehyde SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-05-21 US disclosed
EP-0692485-A1 Cyclohexane carbaldehyde compounds and processes for preparing silacyclohexane-based liquid crystal compounds from the carbaldehyde compound Shin-Etsu Chemical Co., Ltd. (JP) 1996-01-17 EP disclosed
EP-0688776-A2 Process for preparing silacyclo-hexane compounds Shin-Etsu Chemical Co., Ltd. (JP) 1995-12-27 EP disclosed