SCHEMBL7526421

SCHEMBL7526421

CC(C)(C)c1cc(SC[Si](c2ccccc2)(C(C)(C)C)C(C)(C)C)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 3/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 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
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSP90AA1 P07900 4/20 0.33
HSP90AB1 P08238 4/20 0.33
MAPT P10636 3/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
ATP2A2 P16615 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8389493 0.86 HPN (0.44) ALDH1A1ALOX15LMNACYP2C9TYR
SCHEMBL7525362 0.85 ALDH1A1 (0.40) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL27516170 0.83 ESR1 (0.38) ALOX15HTTHSP90AA1HSP90AB1CYP2D6
SCHEMBL7521139 0.83 ALDH1A1 (0.38) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL7521627 0.82 ALDH1A1 (0.41) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL7520198 0.81 ALOX15 (0.41) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL7516041 0.81 ALDH1A1 (0.36) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL7523538 0.80 ALDH1A1 (0.46) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL8439850 0.80 ESR1 (0.42) ALDH1A1CYP2C9TDP1CYP2D6POLB
SCHEMBL7526663 0.80 ALDH1A1 (0.36) ALDH1A1ALOX15NR1I2LMNACYP2C9

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