SCHEMBL7523462

SCHEMBL7523462

CC(C)(C)c1cc(OC[Si](C)(C)c2ccccc2)cc(C(C)(C)C)c1OC(=O)CCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 12/20 0.52
NPSR1 Q6W5P4 1/20 0.35
TNFRSF1A P19438 1/20 0.33
RBP4 P02753 1/20 0.33
SQLE Q14534 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
SCHEMBL7526551 0.91 VCAM1 (0.41) VCAM1TNFRSF1ASQLE
SCHEMBL7524096 0.88 VCAM1 (0.38) VCAM1TNFRSF1ASQLE
SCHEMBL7518758 0.88 VCAM1 (0.47) VCAM1
SCHEMBL6248869 0.88 VCAM1 (0.45) VCAM1
SCHEMBL7524936 0.87 VCAM1 (0.40) VCAM1NPSR1RBP4SQLE
SCHEMBL7523672 0.86 BACE1 (0.39) VCAM1TNFRSF1ASQLE
SCHEMBL6054926 0.83 VCAM1 (0.51) VCAM1NPSR1
SCHEMBL7513863 0.81 VCAM1 (0.57) VCAM1NPSR1TNFRSF1ARBP4
SCHEMBL7521996 0.79 VCAM1 (0.38) VCAM1NPSR1SQLE
SCHEMBL8517276 0.79 ADORA3 (0.35) SQLE

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 7 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
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