SCHEMBL7520581

SCHEMBL7520581

COc1ccc([Si](C)(C)COc2ccc(O)c(C(C)(C)C)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ATM Q13315 2/20 0.41
SQLE Q14534 1/20 0.41
ESRRA P11474 3/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.39
ALOX15 P16050 2/20 0.39
NR1I2 O75469 1/20 0.39
CYP2C9 P11712 1/20 0.39
MIF P14174 1/20 0.39
TYR P14679 1/20 0.39
HTT P42858 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR1H4 Q96RI1 4/20 0.39

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
SCHEMBL7520674 0.88 NR1H4 (0.52) ALDH1A1GAAATMSQLEESRRA
SCHEMBL7515882 0.88 ESRRA (0.45) ALDH1A1GAAATMSQLEESRRA
SCHEMBL8038870 0.88 CA2 (0.54) ALDH1A1GAACA1CA2ATM
SCHEMBL7521161 0.87 ALDH1A1 (0.42) ALDH1A1GAAATMESRRAXBP1
SCHEMBL7525633 0.86 ALDH1A1 (0.41) ALDH1A1GAAATMSQLEESRRA
Dimethylamine SCHEMBL7525639 0.84 ESRRA (0.43) ALDH1A1GAAATMSQLEESRRA
Propionic Acid SCHEMBL27515791 0.81 POLB (0.44) ALDH1A1GAAATMSQLEESRRA
SCHEMBL27497915 0.80 MAPT (0.41) ALDH1A1GAAATMESRRAXBP1
SCHEMBL20548778 0.79 ALDH1A1 (0.71) ALDH1A1GAACA1CA2ATM
Butyric Acid SCHEMBL27516493 0.78 ATM (0.42) ALDH1A1GAAATMSQLEESRRA

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