SCHEMBL9007329

SCHEMBL9007329

CC(C)(C)c1cc(CC[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CC[Si](C)(C)c2ccccc2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CC[Si](c2ccccc2)(C(C)(C)C)C(C)(C)C)cc(C(C)(C)C)c1O.Cc1cc(CC[Si](C)(C)C)cc(C)c1O.Cc1cc(CC[Si](C)(C)c2ccccc2)cc(C)c1O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
AGTR1 P30556 1/20 0.32
HTT P42858 1/20 0.32
MAOB P27338 3/20 0.31
MAOA P21397 2/20 0.31
ACHE P22303 2/20 0.31
SCN2A Q99250 2/20 0.30
CA2 P00918 1/20 0.30
POLB P06746 1/20 0.30
TYR P14679 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
SCHEMBL8389487 0.91 GAA (0.30) GAAKMT2A
SCHEMBL5692156 0.82 GAA (0.47) GAAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5692085 0.80 GAA (0.48) GAAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6680818 0.80 PTGS1 (0.44) GAAKMT2AMEN1PTGS1PTGS2
SCHEMBL8375521 0.78
SCHEMBL5692375 0.77 PTGS1 (0.47) GAAKMT2AMEN1PTGS1PTGS2
SCHEMBL8375517 0.75 GAA (0.33) GAAALDH1A1SMN1; SMN2
SCHEMBL5693112 0.73 ALDH1A1 (0.50) GAAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5693103 0.71 ALDH1A1 (0.52) GAAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7530152 0.71 GAA (0.48) GAAKMT2AMEN1ALDH1A1SMN1; SMN2

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-0732928-A1 METHOD OF LOWERING SERUM CHOLESTEROL LEVELS WITH 2,6-DI-ALKYL-4-SILYL-PHENOLS MERRELL PHARMACEUTICALS INC. (US) 1996-09-25 EP disclosed
WO-1995015760-A1 METHOD OF LOWERING SERUM CHOLESTEROL LEVELS WITH 2,6-DI-ALKYL-4-SILYL-PHENOLS MERRELL PHARMACEUTICALS INC. (US) 1995-06-15 WO disclosed