SCHEMBL7520674

SCHEMBL7520674

CC(C)(C)c1cc(OC[Si](C)(C)c2ccc(N)cc2)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.52
ALDH1A1 P00352 3/20 0.43
ATM Q13315 2/20 0.40
ESRRA P11474 5/20 0.40
GAA P10253 2/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
MIF P14174 1/20 0.38
TYR P14679 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
SQLE Q14534 1/20 0.34

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
SCHEMBL7520581 0.88 ALDH1A1 (0.49) NR1H4ALDH1A1ATMESRRAGAA
SCHEMBL7515882 0.86 ESRRA (0.45) NR1H4ALDH1A1ATMESRRAGAA
SCHEMBL7521161 0.86 ALDH1A1 (0.42) NR1H4ALDH1A1ATMESRRAGAA
SCHEMBL7525633 0.85 ALDH1A1 (0.41) NR1H4ALDH1A1ATMESRRAGAA
Dimethylamine SCHEMBL7525639 0.83 ESRRA (0.43) NR1H4ALDH1A1ATMESRRAGAA
SCHEMBL7521656 0.82 ALOX15 (0.45) NR1H4ALDH1A1GAANR1I2LMNA
Propionic Acid SCHEMBL27515791 0.80 POLB (0.44) NR1H4ALDH1A1ATMESRRAGAA
SCHEMBL27497915 0.79 MAPT (0.41) NR1H4ALDH1A1ATMESRRAGAA
Butyric Acid SCHEMBL27516493 0.77 ATM (0.42) NR1H4ALDH1A1ATMESRRAGAA
SCHEMBL8517823 0.77 TDP1 (0.44) ALDH1A1GAAL3MBTL1LMNAALOX15

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 3 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 disclosed
CN-1216993-A alkyl-4-silyl-phenols and esters thereof as antiatherosclerotic agents HOECHST MARION ROUSSEL INC (US) 1999-05-19 CN disclosed
US-5608095-A Alkyl-4-silyl-phenols and esters thereof as antiatherosclerotic agents HOECHST MARION ROUSSEL, INC. (US) 1997-03-04 US disclosed