SCHEMBL7758905

SCHEMBL7758905

CC(C)CC[Si@H]1CC[C@H](c2ccc(-c3ccc(F)c(F)c3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.33
GRIA4 P48058 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
CYP17A1 P05093 2/20 0.32
CYP11B2 P19099 2/20 0.32
CYP11B1 P15538 1/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
P2RY14 Q15391 1/20 0.31
GPR88 Q9GZN0 1/20 0.31
CYP3A4 P08684 2/20 0.30
KDM1A O60341 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL7758900 1.00 APP (0.33) APPGRIA4DPP4DPP8DPP9
SCHEMBL8005915 0.91 DPP4 (0.35) APPDPP4DPP8DPP9DPP7
SCHEMBL9008551 0.91 DPP4 (0.35) APPDPP4DPP8DPP9DPP7
SCHEMBL8005920 0.91 DPP4 (0.35) APPDPP4DPP8DPP9DPP7
SCHEMBL8005913 0.91 DPP4 (0.35) APPDPP4DPP8DPP9DPP7
SCHEMBL8393899 0.86 APP (0.32) APPGRIA4DPP4DPP8DPP9
SCHEMBL8393898 0.86 APP (0.32) APPGRIA4DPP4DPP8DPP9
SCHEMBL7757564 0.85 CYP11B2 (0.34) APPCYP17A1CYP11B2CYP11B1P2RY14
SCHEMBL7757568 0.85 CYP11B2 (0.34) APPCYP17A1CYP11B2CYP11B1P2RY14
SCHEMBL7757563 0.82 CYP11B2 (0.36) APPCYP17A1CYP11B2CYP11B1P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696591-B1 Process for preparing silacyclohexane-based liquid crystal compounds SHINETSU CHEMICAL CO (JP) 2001-03-14 EP disclosed
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
US-5514824-A Process for preparing silacyclohexane-base liquid crystal compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-05-07 US disclosed
EP-0696591-A1 Process for preparing silacyclohexane-based liquid crystal compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-02-14 EP 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