SCHEMBL8517276

SCHEMBL8517276

CC(=O)Oc1c(C(C)(C)C)cc(OC[Si](C)(C)c2ccccc2)cc1C(C)(C)C.CC(=O)Oc1ccc(OC[Si](C)(C)c2ccccc2)cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.35
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
PTPN1 P18031 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
BACE1 P56817 3/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SQLE Q14534 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7525820 0.94 MAPT (0.38) MAPTMAPK1PTPN1NR1H4PTGDR2
SCHEMBL7523672 0.92 BACE1 (0.39) ADORA3MAPTBACE1SQLE
SCHEMBL7516405 0.82 KDM4E (0.40) MAPTMAPK1PTPN1NR1H4BACE1
SCHEMBL7524936 0.82 VCAM1 (0.40) MAPTPTGDR2TDP1MEN1KMT2A
SCHEMBL7524096 0.81 VCAM1 (0.38) MAPTSMN1; SMN2KMT2ASQLE
SCHEMBL8839727 0.80 BACE1 (0.38) BACE1KDM4EALDH1A1HPGD
SCHEMBL7520303 0.80 VCAM1 (0.33) MAPTNR1H4POLBL3MBTL1ALDH1A1
SCHEMBL7523462 0.79 VCAM1 (0.52) SQLE
SCHEMBL7526592 0.79 MEN1 (0.32) MAPTNR1H4LMNAMEN1KMT2A
SCHEMBL7526551 0.79 VCAM1 (0.41) SQLEHPGD

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-A1 ALKYL-4-SILYL-PHENOLS AND ESTERS THEREOF AS ANTIATHEROSCLEROTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1999-03-10 EP disclosed
WO-1997041129-A1 ALKYL-4-SILYL-PHENOLS AND ESTERS THEREOF AS ANTIATHEROSCLEROTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1997-11-06 WO disclosed