SCHEMBL8728538

SCHEMBL8728538

CCCCC[SiH]1CCC(c2ccc(C(F)=CF)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.35
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SPHK2 Q9NRA0 7/20 0.31

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
SCHEMBL8728532 1.00 SPHK1 (0.35) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8728528 1.00 SPHK1 (0.35) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8732249 0.89 SPHK1 (0.34) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8732245 0.89 SPHK1 (0.34) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8732248 0.89 SPHK1 (0.34) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8732185 0.85
SCHEMBL8732187 0.85
SCHEMBL8732190 0.85
SCHEMBL8727868 0.84 SPHK1 (0.36) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8727869 0.84 SPHK1 (0.36) SPHK1CYP2C9ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5730901-A Silacyclohexane compounds, preparation thereof liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-03-24 US disclosed
EP-0742222-A2 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-11-13 EP disclosed