SCHEMBL7523672

SCHEMBL7523672

CC(=O)Oc1c(C(C)(C)C)cc(OC[Si](C)(C)c2ccccc2)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.39
MAPT P10636 1/20 0.37
TNFRSF1A P19438 1/20 0.36
VCAM1 P19320 4/20 0.35
SQLE Q14534 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ELANE P08246 1/20 0.33
CYP3A4 P08684 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
SCHEMBL8517276 0.92 ADORA3 (0.35) BACE1MAPTSQLEADORA3
SCHEMBL7524096 0.88 VCAM1 (0.38) MAPTTNFRSF1AVCAM1SQLEELANE
SCHEMBL7520303 0.87 VCAM1 (0.33) MAPTVCAM1
SCHEMBL8839727 0.87 BACE1 (0.38) BACE1VCAM1
SCHEMBL7523462 0.86 VCAM1 (0.52) TNFRSF1AVCAM1SQLE
SCHEMBL7526592 0.86 MEN1 (0.32) MAPTVCAM1SQLECYP3A4
SCHEMBL7526551 0.86 VCAM1 (0.41) TNFRSF1AVCAM1SQLE
SCHEMBL7525820 0.85 MAPT (0.38) MAPTSQLEELANECYP3A4
SCHEMBL5692389 0.81 CA2 (0.45) MAPTTNFRSF1ASQLECYP3A4
SCHEMBL7516405 0.81 KDM4E (0.40) BACE1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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