SCHEMBL9190236

SCHEMBL9190236

CC(C)(C)c1cc(OC[Si](C)(C)COc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.55
CA1 P00915 2/20 0.55
MAPT P10636 4/20 0.46
ALOX15 P16050 2/20 0.46
HPN P05981 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
ALDH1A1 P00352 7/20 0.45
POLB P06746 1/20 0.45
TYR P14679 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
BLM P54132 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 2/20 0.42
HIF1A Q16665 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL5692086 0.89 CA2 (0.55) CA2CA1MAPTALOX15HPN
SCHEMBL8389517 0.85 CA2 (0.44) CA2CA1MAPTALOX15HPN
SCHEMBL7526574 0.82 CA1 (0.53) CA2CA1MAPTALOX15HPN
SCHEMBL9192841 0.82 CA2 (0.52) CA2CA1MAPTALOX15HPN
SCHEMBL8959175 0.80 CA2 (0.63) CA2CA1MAPTALOX15HPN
SCHEMBL7520042 0.79 CA2 (0.45) CA2CA1MAPTALOX15HPN
SCHEMBL6054922 0.79 CA2 (0.45) CA2CA1MAPTALOX15HPN
SCHEMBL5692389 0.79 CA2 (0.45) CA2CA1MAPTALOX15HPN
SCHEMBL448549 0.79 CA2 (0.61) CA2CA1MAPTALOX15HPN
SCHEMBL17733082 0.79 CA2 (0.61) CA2CA1MAPTALOX15HPN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0464844-B1 Novel bis (4-(2,6-di-alkyl)phenol)silane derivatives as antiatherosclerotic agents and as antioxidants MERRELL DOW PHARMA (US) 1995-12-27 EP disclosed
US-5304668-A Bis-[4-(2,6-di-alkyl)phenolisilane derivatives as antiatherosclerotic agents MERRELL DOW PHARMACEUTICALS (US) 1994-04-19 US disclosed
US-5281738-A Anticholesterol agents MERRELL DOW PHARMACEUTICALS INC. (US) 1994-01-25 US disclosed
EP-0464844-A1 Novel bis (4-(2,6-di-alkyl)phenol)silane derivatives as antiatherosclerotic agents and as antioxidants MERRELL DOW PHARMACEUTICALS INC. (US) 1992-01-08 EP disclosed