SCHEMBL8015162

SCHEMBL8015162

CCCC1CCC([SiH]2CCC(c3ccc(-c4ccc(C#N)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 16/20 0.38
CYP11B2 P19099 16/20 0.38
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL8015167 1.00 CYP11B1 (0.38) CYP11B1CYP11B2CYP2C9ALDH1A1LMNA
SCHEMBL7062225 0.89 CYP2C9 (0.44) CYP11B1CYP11B2CYP2C9ALDH1A1LMNA
SCHEMBL5886472 0.89 CYP2C9 (0.44) CYP11B1CYP11B2CYP2C9ALDH1A1LMNA
SCHEMBL9008532 0.85 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9008533 0.85 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8022547 0.84 CYP2C9 (0.38) CYP11B1CYP11B2CYP2C9ALDH1A1LMNA
SCHEMBL8022544 0.84 CYP2C9 (0.38) CYP11B1CYP11B2CYP2C9ALDH1A1LMNA
SCHEMBL8017757 0.83 CYP11B1 (0.38) CYP11B1CYP11B2GPR119
SCHEMBL9008500 0.83 CYP11B1 (0.38) CYP11B1CYP11B2GPR119
SCHEMBL8017761 0.83 CYP11B1 (0.38) CYP11B1CYP11B2GPR119

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