SCHEMBL8017757

SCHEMBL8017757

CCC[Si@H]1CC[C@H](CCC2CCC(c3ccc(-c4ccc(C#N)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 17/20 0.38
CYP11B2 P19099 17/20 0.38
GPR119 Q8TDV5 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
KCNJ1 P48048 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
SCHEMBL8017760 1.00 CYP11B1 (0.38) CYP11B1CYP11B2GPR119EGLN2KCNJ1
SCHEMBL8017761 1.00 CYP11B1 (0.38) CYP11B1CYP11B2GPR119EGLN2KCNJ1
SCHEMBL9008500 1.00 CYP11B1 (0.38) CYP11B1CYP11B2GPR119EGLN2KCNJ1
SCHEMBL7062225 0.87 CYP2C9 (0.44) CYP11B1CYP11B2
SCHEMBL5886472 0.87 CYP2C9 (0.44) CYP11B1CYP11B2
SCHEMBL8018246 0.83 GRIA2 (0.39) EGLN2
SCHEMBL8018249 0.83 GRIA2 (0.39) EGLN2
SCHEMBL9008571 0.83 GRIA2 (0.39) EGLN2
SCHEMBL8018251 0.83 GRIA2 (0.39) EGLN2
SCHEMBL8015162 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