SCHEMBL7520189

SCHEMBL7520189

CC(=O)Oc1c(C(C)(C)C)cc(SC[Si](C)(C)c2ccc(N)cc2)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 14/20 0.37
NR1H4 Q96RI1 1/20 0.34
CYP19A1 P11511 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32

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
SCHEMBL7521719 0.81 ALOX15 (0.42)
SCHEMBL7523700 0.80 NR1H4 (0.35) VCAM1NR1H4CYP19A1CTSLCTSB
SCHEMBL7524487 0.77 NR1H4 (0.40) NR1H4
SCHEMBL7513863 0.75 VCAM1 (0.57) VCAM1
SCHEMBL7525083 0.73 VCAM1 (0.52) VCAM1
SCHEMBL7523485 0.72 POLB (0.40) CYP19A1CTSLCTSB
SCHEMBL4324980 0.72 NR1H4 (0.39) VCAM1NR1H4CYP19A1
SCHEMBL7523469 0.69 ALOX15 (0.40) NR1H4
SCHEMBL5692124 0.68 HPN (0.45) VCAM1
SCHEMBL7523672 0.68 BACE1 (0.39) VCAM1

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