SCHEMBL9015713

SCHEMBL9015713

CC(CC(C)(C)OOC(C)(C)C)OC(=O)NCCNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.47
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
AGTR1 P30556 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GSK3B P49841 2/20 0.37
GSR P00390 2/20 0.34
HMGCR P04035 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
SCHEMBL9015732 0.88 GAA (0.49) GAAKMT2AMEN1MAOBMAOA
SCHEMBL9015698 0.83 GAA (0.46) GAAKMT2AMEN1MAOBMAOA
SCHEMBL9015729 0.79 GAA (0.49) GAAKMT2AMEN1MAOBMAOA
SCHEMBL1149914 0.79 GAA (0.86) GAAKMT2AMEN1MAOBMAOA
SCHEMBL9015692 0.78 GAA (0.41) GAAKMT2AMEN1MAOBMAOA
SCHEMBL11841386 0.78 MEN1 (0.35) GAAKMT2AMEN1
SCHEMBL11609517 0.75 GAA (0.79) GAAKMT2AMEN1MAOBMAOA
SCHEMBL3913240 0.75 GAA (0.79) GAAKMT2AMEN1MAOBMAOA
SCHEMBL4569533 0.75 GAA (0.83) GAAKMT2AMEN1MAOBMAOA
SCHEMBL9015619 0.74 HMGCR (0.38) GAAKMT2AMEN1ALDH1A1LMNA

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
US-5516856-A IMPROVED PROCESS FOR THE MODIFICATION OF THE MOLECULAR CHAIN OF A POLYMER ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-05-14 US disclosed
US-5051531-A As polymerization catalysts and for crosslinking ATOCHEM NORTH AMERICA, INC. (US) 1991-09-24 US disclosed