SCHEMBL7516141

SCHEMBL7516141

COc1ccc([Si](C)(COc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.54
CA1 P00915 2/20 0.54
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS2 P35354 3/20 0.37
PTGS1 P23219 2/20 0.37
ALOX15 P16050 2/20 0.36
MAPT P10636 2/20 0.36
HPN P05981 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8038870 0.89 CA2 (0.54) CA2CA1ALOX5ALDH1A1GAA
SCHEMBL7520042 0.86 CA2 (0.45) CA2CA1ALDH1A1GAACYP3A4
SCHEMBL7526574 0.82 CA1 (0.53) CA2CA1ALOX5ALDH1A1GAA
SCHEMBL8385652 0.81 CA2 (0.51) CA2CA1ALOX5ALDH1A1GAA
SCHEMBL6054913 0.77 CA2 (0.43) CA2CA1ALOX5ALDH1A1GAA
SCHEMBL8518289 0.77 ESR2 (0.50) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL6054922 0.77 CA2 (0.45) CA2CA1ALDH1A1GAACYP3A4
SCHEMBL9190236 0.77 CA2 (0.55) CA2CA1ALDH1A1GAACYP3A4
SCHEMBL5692086 0.77 CA2 (0.55) CA2CA1ALDH1A1GAACYP3A4
SCHEMBL7520581 0.77 ALDH1A1 (0.49) CA2CA1ALDH1A1GAACYP3A4

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