SCHEMBL7522609

SCHEMBL7522609

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 2/20 0.33
GAA P10253 2/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 1/20 0.31
VCAM1 P19320 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
NR1H4 Q96RI1 2/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL7521009 0.87 VCAM1 (0.37) CALM1GAAVCAM1KMT2A
SCHEMBL7517609 0.86 VCAM1 (0.45) CALM1GAAALDH1A1MAPTVCAM1
SCHEMBL7523700 0.86 NR1H4 (0.35) GAAVCAM1KMT2AMEN1NR1H4
SCHEMBL7516554 0.84 GAA (0.34) GAAMAPTVCAM1KMT2AMEN1
SCHEMBL7517862 0.84 AKT1 (0.34) CALM1GAAALDH1A1MAPTHPGD
SCHEMBL7526592 0.82 MEN1 (0.32) ALDH1A1MAPTHPGDVCAM1KMT2A
SCHEMBL7522270 0.74 GAA (0.37) GAAVCAM1KMT2AMEN1
SCHEMBL7518926 0.74 SLC6A9 (0.33) GAAALDH1A1MAPTHPGDKMT2A
SCHEMBL7527917 0.73 VCAM1 (0.40) GAAHPGDVCAM1KMT2AMEN1
SCHEMBL9354087 0.72 VCAM1 (0.45) GAAVCAM1KMT2A

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