SCHEMBL8418729

SCHEMBL8418729

COCCC[Si@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.33
ADRA1A P35348 1/20 0.33
HCRTR2 O43614 3/20 0.32
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK14 Q16539 1/20 0.30
S1PR1 P21453 1/20 0.30
ESR2 Q92731 1/20 0.30
KDM1A O60341 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
SCHEMBL8418731 1.00 OPRL1 (0.33) OPRL1ADRA1AHCRTR2DGAT1SOAT1
SCHEMBL9008473 0.91 OPRL1 (0.32) OPRL1DGAT1SOAT1ALDH1A1LMNA
SCHEMBL8015140 0.91 OPRL1 (0.32) OPRL1DGAT1SOAT1ALDH1A1LMNA
SCHEMBL8015134 0.91 OPRL1 (0.32) OPRL1DGAT1SOAT1ALDH1A1LMNA
SCHEMBL8015137 0.91 OPRL1 (0.32) OPRL1DGAT1SOAT1ALDH1A1LMNA
SCHEMBL8399190 0.88 ADRA1A (0.34) ADRA1AHCRTR2TLR9TLR8TLR7
SCHEMBL8399181 0.88 ADRA1A (0.34) ADRA1AHCRTR2TLR9TLR8TLR7
SCHEMBL8399179 0.88 ADRA1A (0.34) ADRA1AHCRTR2TLR9TLR8TLR7
SCHEMBL8399185 0.88 ADRA1A (0.34) ADRA1AHCRTR2TLR9TLR8TLR7
SCHEMBL7757723 0.86 CYP2C9 (0.35) OPRL1ADRA1AHCRTR2ALDH1A1LMNA

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-0648773-B1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 1999-09-08 EP disclosed
US-5547606-A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-08-20 US disclosed
EP-0648773-A1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it Shin-Etsu Chemical Co., Ltd. (JP) 1995-04-19 EP disclosed