SCHEMBL7517854

SCHEMBL7517854

CC(C)(C)c1cc(OC[Si](C)(C)c2ccccc2)c(C(C)(C)C)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 2/20 0.42
ATP2A2 P16615 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATP2A3 Q93084 1/20 0.42
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C9 P11712 2/20 0.33
ESRRA P11474 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NR1I2 O75469 1/20 0.33
MIF P14174 1/20 0.33
TYR P14679 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
Dimethylamine SCHEMBL7520158 0.96 ALOX15 (0.44) ALOX15LMNATP53CYP3A4HPGD
SCHEMBL7516806 0.89 ALOX15 (0.47) ALOX15LMNATP53CYP3A4HPGD
SCHEMBL7521656 0.86 ALOX15 (0.45) ALOX15LMNATP53CYP3A4HPGD
SCHEMBL7525650 0.85 ALOX15 (0.44) ALOX15LMNATP53CYP3A4HPGD
SCHEMBL7520154 0.84 ALOX15 (0.43) ALOX15LMNATP53CYP3A4HPGD
SCHEMBL7516405 0.83 KDM4E (0.40) LMNAHPGDALDH1A1KDM4EMAPT
SCHEMBL7515882 0.81 ESRRA (0.45) ALOX15LMNAALDH1A1MAPTTSHR
Dimethylamine SCHEMBL7525639 0.77 ESRRA (0.43) ALOX15LMNAALDH1A1MAPTTSHR
SCHEMBL5692389 0.77 CA2 (0.45) ALOX15CYP3A4ALDH1A1MAPTCYP1A2
SCHEMBL6544223 0.77 LMNA (0.53) ALOX15LMNATP53CYP3A4HPGD

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 8 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
EP-0900225-A1 ALKYL-4-SILYL-PHENOLS AND ESTERS THEREOF AS ANTIATHEROSCLEROTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1999-03-10 EP disclosed
WO-1997041129-A1 ALKYL-4-SILYL-PHENOLS AND ESTERS THEREOF AS ANTIATHEROSCLEROTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1997-11-06 WO disclosed
US-5608095-A Alkyl-4-silyl-phenols and esters thereof as antiatherosclerotic agents HOECHST MARION ROUSSEL, INC. (US) 1997-03-04 US disclosed