SCHEMBL4454853

SCHEMBL4454853

CCC(=O)SCC[Si](OC)(OC)OC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL4450060 0.90 LMNA (0.35) LMNATDP1
SCHEMBL3682761 0.84 LMNA (0.34) LMNATDP1ALDH1A1
SCHEMBL4461505 0.82 LMNA (0.37) LMNAALDH1A1
SCHEMBL4457981 0.82 TDP1 (0.31) TDP1
SCHEMBL98468 0.81 LMNA (0.40) LMNATDP1ALDH1A1
SCHEMBL96149 0.80 LMNA (0.42) LMNATDP1ALDH1A1
SCHEMBL30205727 0.80 LMNA (0.42) LMNATDP1ALDH1A1
SCHEMBL30205673 0.80 LMNA (0.42) LMNATDP1ALDH1A1
SCHEMBL30205627 0.80 LMNA (0.42) LMNATDP1ALDH1A1
SCHEMBL30205721 0.80 LMNA (0.42) LMNATDP1ALDH1A1

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
EP-1680469-B1 SILICA-FILLED ELASTOMERIC COMPOUNDS LANXESS INC (CA) 2009-01-07 EP claimed
CN-1894329-A Butyl rubber composition for tire treads LANXESS INC (CA) 2007-01-10 CN disclosed