SCHEMBL7515913

SCHEMBL7515913

CC(C)(C)c1cc(SC[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)c(C(C)(C)C)cc1OC(=O)CCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 9/20 0.43
RBP4 P02753 3/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PTGS1 P23219 1/20 0.31

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
SCHEMBL7516065 0.83 VCAM1 (0.39) VCAM1RBP4
SCHEMBL7526616 0.82 VCAM1 (0.38) VCAM1RBP4PTGDR2
SCHEMBL7516417 0.80 VCAM1 (0.37) VCAM1RBP4
SCHEMBL7519659 0.73 ALOX15 (0.35)
SCHEMBL7519086 0.73 KDM4E (0.36)
SCHEMBL7523110 0.70 ALOX15 (0.50) PTGS1
SCHEMBL7521691 0.70 PTGS2 (0.36)
SCHEMBL7525030 0.70 PTGS2 (0.32)
SCHEMBL7515293 0.70 PTGS2 (0.38) PTGS1
SCHEMBL18998964 0.69 VCAM1 (0.47) VCAM1RBP4PTGDR2

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