SCHEMBL8032550

SCHEMBL8032550

CCCCC[Si@H]1CC[C@H](CCc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
TAAR1 Q96RJ0 1/20 0.37
MAOA P21397 1/20 0.36
DAO P14920 2/20 0.35
SPHK1 Q9NYA1 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
PLK1 P53350 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
SCHEMBL8032552 1.00 MAOB (0.45) MAOBTAAR1MAOADAOSPHK1
SCHEMBL8096004 0.96 MAOB (0.43) MAOBTAAR1MAOA
SCHEMBL8096006 0.96 MAOB (0.43) MAOBTAAR1MAOA
SCHEMBL7755798 0.86 MAOB (0.43) MAOBMAOA
SCHEMBL7755794 0.86 MAOB (0.43) MAOBMAOA
SCHEMBL7753101 0.85 MAOB (0.42) MAOBMAOASPHK1
SCHEMBL7753104 0.85 MAOB (0.42) MAOBMAOASPHK1
SCHEMBL8043882 0.84 TSHR (0.39) MAOBMAOADAOSLC6A4
SCHEMBL8043879 0.84 TSHR (0.39) MAOBMAOADAOSLC6A4
SCHEMBL9229087 0.83 MAOB (0.51) MAOBTAAR1MAOA

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-0657460-B1 A silacyclohexane compound, a method of prepraring it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 2000-04-12 EP disclosed
US-5496501-A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-03-05 US disclosed
EP-0657460-A1 A silacyclohexane compound, a method of prepraring it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-06-14 EP disclosed