SCHEMBL7525872

SCHEMBL7525872

CN(C)c1ccc([Si](C)(C)COc2cc(C(C)(C)C)c(OC(=O)CCC(=O)O)cc2C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.33
SLC6A9 P48067 1/20 0.32
LTB4R Q15722 1/20 0.32
KDM4E B2RXH2 3/20 0.32
GAA P10253 2/20 0.32
MAPK1 P28482 1/20 0.32
RXRA P19793 3/20 0.32
RXRB P28702 2/20 0.32
KCNH2 Q12809 1/20 0.32
RBP4 P02753 2/20 0.31
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 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
SCHEMBL7522056 0.88 KDM4E (0.34) PTGDR2SLC6A9KDM4EGAAMAPK1
SCHEMBL7518926 0.86 SLC6A9 (0.33) PTGDR2SLC6A9KDM4EGAAMAPK1
SCHEMBL7518758 0.84 VCAM1 (0.47) VCAM1LTB4RRXRARXRBKCNH2
SCHEMBL7520154 0.80 ALOX15 (0.43) KDM4EGAAMAPK1ALDH1A1
SCHEMBL7524936 0.77 VCAM1 (0.40) VCAM1PTGDR2RBP4NPSR1
SCHEMBL7517609 0.76 VCAM1 (0.45) VCAM1LTB4RGAAMAPK1ALDH1A1
SCHEMBL7524217 0.75 VCAM1 (0.37) VCAM1KDM4EGAAALDH1A1L3MBTL1
SCHEMBL7516405 0.74 KDM4E (0.40) PTGDR2KDM4EGAAMAPK1RXRA
SCHEMBL6054926 0.73 VCAM1 (0.51) VCAM1GAAALDH1A1L3MBTL1NPSR1
SCHEMBL7523688 0.72 VCAM1 (0.35) VCAM1KDM4EGAAALDH1A1L3MBTL1

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