SCHEMBL7518904

SCHEMBL7518904

CC(C)(C)c1cc(OC[Si](C)(C)c2cccc(C(F)(F)F)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
MAPT P10636 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 1/20 0.35
SQLE Q14534 3/20 0.35
MAOB P27338 3/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
AOC3 Q16853 1/20 0.33
HIF1A Q16665 1/20 0.33
SCN2A Q99250 1/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL27497915 0.88 MAPT (0.41) MAPTL3MBTL1HTTMAOBKDM4E
SCHEMBL7515902 0.87 CA2 (0.41) CA2CA1MAPTSQLELMNA
SCHEMBL5692389 0.83 CA2 (0.45) CA2CA1MAPTSQLEATM
SCHEMBL8385616 0.82 CA2 (0.44) CA2CA1MAPTL3MBTL1SQLE
SCHEMBL8389818 0.81 PTGS1 (0.46) CA2CA1MAPTSQLELMNA
SCHEMBL6054922 0.80 CA2 (0.45) CA2CA1MAPTHTTSQLE
SCHEMBL6248869 0.80 VCAM1 (0.45) ATM
Dimethylamine SCHEMBL7513266 0.80 CA2 (0.41) CA2CA1MAPTSQLEMAOB
SCHEMBL8038870 0.78 CA2 (0.54) CA2CA1MAPTSQLEMAOB
SCHEMBL8387081 0.78 CA2 (0.42) CA2CA1MAPTSQLELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900225-B1 ALKYL-4-SILYL-PHENOLS AND ESTERS THEREOF AS ANTIATHEROSCLEROTIC AGENTS AVENTIS PHARMA INC (US) 2002-01-30 EP claimed
EP-0900225-A1 ALKYL-4-SILYL-PHENOLS AND ESTERS THEREOF AS ANTIATHEROSCLEROTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1999-03-10 EP claimed
WO-1997041129-A1 ALKYL-4-SILYL-PHENOLS AND ESTERS THEREOF AS ANTIATHEROSCLEROTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1997-11-06 WO claimed
US-5608095-A Alkyl-4-silyl-phenols and esters thereof as antiatherosclerotic agents HOECHST MARION ROUSSEL, INC. (US) 1997-03-04 US claimed
EP-0900225-B1 ALKYL-4-SILYL-PHENOLS AND ESTERS THEREOF AS ANTIATHEROSCLEROTIC AGENTS AVENTIS PHARMA INC (US) 2002-01-30 EP disclosed
US-5608095-A Alkyl-4-silyl-phenols and esters thereof as antiatherosclerotic agents HOECHST MARION ROUSSEL, INC. (US) 1997-03-04 US disclosed