SCHEMBL9015716

SCHEMBL9015716

CC(C)(C)OOC(=O)CCC(=O)NNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.58
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.52
AGTR1 P30556 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 3/20 0.45
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
VCAM1 P19320 2/20 0.40
ACHE P22303 1/20 0.40
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL9015605 0.88 GAA (0.56) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL39122 0.85 GAA (0.77) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL30587082 0.84 GAA (0.67) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL30732960 0.84 GAA (0.74) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL9015604 0.82 GAA (0.58) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL9015679 0.82 GAA (0.58) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL134360 0.81 GAA (0.67) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL20390742 0.81 GAA (0.70) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL9015633 0.80 GAA (0.54) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL9015683 0.80 GAA (0.55) GAAKMT2AALDH1A1LMNAAGTR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344733-A2 Novel antioxidant-peroxides and their use ELF ATOCHEM NORTH AMERICA, INC. (US) 1989-12-06 EP claimed
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
EP-0344733-A2 Novel antioxidant-peroxides and their use ELF ATOCHEM NORTH AMERICA, INC. (US) 1989-12-06 EP disclosed