SCHEMBL7758012

SCHEMBL7758012

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
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
SPHK1 Q9NYA1 4/20 0.33
PDE5A O76074 1/20 0.33
DGAT1 O75907 2/20 0.33
ESR2 Q92731 2/20 0.33
GCGR P47871 1/20 0.32
P2RY14 Q15391 2/20 0.31
RARB P10826 2/20 0.31
RARA P10276 1/20 0.31
RARG P13631 1/20 0.31
SPHK2 Q9NRA0 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
SCHEMBL7758004 1.00 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8022480 1.00 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9008537 1.00 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9008486 0.91 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8018980 0.91 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7757974 0.91 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7757976 0.91 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8415888 0.91 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7757723 0.91 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7757728 0.91 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711777-B1 Cyclohexanone compounds, a process for preparing the cyclohexanone compounds, and a process for preparing silacyclohexane-based compounds from the cyclohexanone compounds SHINETSU CHEMICAL CO (JP) 2001-04-04 EP disclosed
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-0711777-A1 Cyclohexanone compounds, a process for preparing the cyclohexanone compounds, and a process for preparing silacyclohexane-based compounds from the cyclohexanone compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-05-15 EP 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