SCHEMBL7525374

SCHEMBL7525374

Cc1cccc([SiH2]CSc2ccc(O)c(C(C)(C)C)c2)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
ALOX15 P16050 3/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
MIF P14174 1/20 0.36
TYR P14679 1/20 0.36
HTT P42858 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TRPA1 O75762 1/20 0.36
ATM Q13315 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 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
SCHEMBL7523209 0.87 GABRA1 (0.41) ALDH1A1ALOX15LMNACYP2C9TYR
SCHEMBL8390355 0.85 GABRA1 (0.42) ALDH1A1ALOX15CYP2C9TYRHSD17B10
SCHEMBL7526427 0.84 ALDH1A1 (0.37) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL27515458 0.81 ESR1 (0.34) HSD17B10TRPA1ATMGABRA1GABRB2
SCHEMBL27497914 0.80 THRA (0.36) LMNATRPA1ATMGABRA1GABRB2
SCHEMBL7521149 0.80 HSP90AA1 (0.34) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL27496914 0.79 ALOX5 (0.34) HSD17B10TRPA1ATMTP53MAPK1
SCHEMBL7521636 0.79 NR1I2 (0.33) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL7519331 0.78 NPSR1 (0.32) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL27535171 0.78 ESR1 (0.39) ALDH1A1LMNAHTTTRPA1ATM

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