SCHEMBL7516065

SCHEMBL7516065

CCCC[Si](CCCC)(CCCC)CSc1cc(C(C)(C)C)c(OC(=O)CCC(=O)O)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 6/20 0.39
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.30
CYSLTR1 Q9Y271 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
GAA P10253 1/20 0.30
XBP1 P17861 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALOX15 P16050 1/20 0.30
RBP4 P02753 2/20 0.30

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
SCHEMBL7515913 0.83 VCAM1 (0.43) VCAM1RBP4
SCHEMBL7526616 0.79 VCAM1 (0.38) VCAM1KDM4EMEN1RECQLKMT2A
SCHEMBL7516417 0.76 VCAM1 (0.37) VCAM1KDM4EMEN1RECQLKMT2A
SCHEMBL7527873 0.74 ALOX15 (0.43) KDM4EGAAXBP1ATMNPSR1
SCHEMBL7521691 0.73 PTGS2 (0.36) KDM4E
SCHEMBL7522271 0.73 PTGS2 (0.43)
SCHEMBL7519086 0.73 KDM4E (0.36) KDM4EMEN1RECQLKMT2AGAA
SCHEMBL7525030 0.71 PTGS2 (0.32)
SCHEMBL7529855 0.68 PTGS2 (0.40) KDM4E
SCHEMBL7523355 0.65 VCAM1 (0.36) VCAM1KDM4EMEN1RECQLKMT2A

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 2 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
US-5608095-A Alkyl-4-silyl-phenols and esters thereof as antiatherosclerotic agents HOECHST MARION ROUSSEL, INC. (US) 1997-03-04 US disclosed