SCHEMBL9015841

SCHEMBL9015841

CCC(C)(C)OOC(C)(CCC(=O)NNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OOC(C)(C)CC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
AGTR1 P30556 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RECQL P46063 1/20 0.39
KMT2A Q03164 3/20 0.38
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
VCAM1 P19320 2/20 0.36
MAOB P27338 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL9015701 0.89 GAA (0.42) GAALMNAALDH1A1AGTR1HTT
SCHEMBL9419800 0.75 GAA (0.65) GAALMNAALDH1A1AGTR1HTT
SCHEMBL9015604 0.75 GAA (0.58) GAALMNAALDH1A1AGTR1HTT
SCHEMBL12324390 0.75 GAA (0.53) GAALMNAALDH1A1HTTSMN1; SMN2
SCHEMBL9192745 0.74 TSHR (0.31) GAA
SCHEMBL9147108 0.69 ALDH1A1 (0.47) GAALMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL9015746 0.68 LMNA (0.48) GAALMNAALDH1A1SMN1; SMN2RECQL
SCHEMBL9015655 0.68 CTSD (0.44) GAAALDH1A1CYP1A2
SCHEMBL11612164 0.67 LMNA (0.53) GAALMNAALDH1A1SMN1; SMN2RECQL
SCHEMBL11632170 0.66 PTGS1 (0.56) GAALMNAALDH1A1SMN1; SMN2RECQL

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