SCHEMBL7525902

SCHEMBL7525902

Cc1cc(OC[Si](C)(C)C)c(C)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
G6PD P11413 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
CCR6 P51684 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ESR1 P03372 9/20 0.34
HTT P42858 1/20 0.32

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
SCHEMBL7521702 0.79 ALDH1A1 (0.36) MAPTNPSR1ALDH1A1KDM4ECYP1A2
SCHEMBL9704738 0.78 ESR1 (0.51) MAPTNPSR1ALDH1A1KDM4ECYP1A2
SCHEMBL25329065 0.74 ESR1 (0.46) MAPTNPSR1ALDH1A1KDM4ECYP1A2
SCHEMBL9704734 0.73 ESR1 (0.56) MAPTNPSR1ALDH1A1KDM4ECYP1A2
SCHEMBL25328765 0.73 ALDH1A1 (0.41) MAPTNPSR1ALDH1A1KDM4ECYP1A2
SCHEMBL6013924 0.72 KDM4E (0.52) MAPTNPSR1ALDH1A1KDM4ECYP1A2
SCHEMBL23906772 0.72 ESR1 (0.40) MAPTNPSR1ALDH1A1KDM4ECYP1A2
SCHEMBL8390264 0.71 SCN5A (0.39) MAPTALDH1A1KDM4ECYP2C9MAPK1
SCHEMBL14015793 0.70 ESR1 (0.58) ALDH1A1HPGDESR1
SCHEMBL879021 0.70 CYP3A4 (0.50) MAPTNPSR1ALDH1A1KDM4ECYP1A2

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 4 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
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