SCHEMBL7755495

SCHEMBL7755495

CCC[Si@H]1CC[C@H](c2ccc(OC(=O)c3ccc(C#N)cc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
HIF1A Q16665 1/20 0.39
MAPT P10636 4/20 0.39
PRSS1 P07477 2/20 0.38
ACR P10323 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
HSD11B1 P28845 1/20 0.37
F2 P00734 1/20 0.36
FASN P49327 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL7755493 1.00 MGLL (0.40) MGLLGRIA1GRIA2GRIA3ALDH1A1
SCHEMBL7755780 0.93 MGLL (0.44) MGLLGRIA1GRIA2GRIA3ALDH1A1
SCHEMBL7755777 0.93 MGLL (0.44) MGLLGRIA1GRIA2GRIA3ALDH1A1
SCHEMBL7754699 0.86 MAPT (0.50) ALDH1A1CYP1A2HIF1AMAPTPRSS1
SCHEMBL7754704 0.86 MAPT (0.50) ALDH1A1CYP1A2HIF1AMAPTPRSS1
SCHEMBL7754681 0.85 KMT2A (0.44) ALDH1A1CYP1A2CYP2D6MAPTSMN1; SMN2
SCHEMBL7757062 0.85 KMT2A (0.40) ALDH1A1CYP1A2CYP2D6MAPTPRSS1
SCHEMBL7755541 0.85 KMT2A (0.44) ALDH1A1CYP1A2CYP2D6MAPTSMN1; SMN2
SCHEMBL7757066 0.85 KMT2A (0.40) ALDH1A1CYP1A2CYP2D6MAPTPRSS1
SCHEMBL7755539 0.85 KMT2A (0.44) ALDH1A1CYP1A2CYP2D6MAPTSMN1; SMN2

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-0708107-B1 Novel silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHINETSU CHEMICAL CO (JP) 2001-02-28 EP disclosed
US-5624601-A Silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-04-29 US disclosed
EP-0708107-A1 Novel silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-04-24 EP disclosed