SCHEMBL9545502

SCHEMBL9545502

CC(C)(C)c1cc(CCC(=O)NN2C(=O)CCC2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.60
KMT2A Q03164 3/20 0.56
MAOB P27338 3/20 0.51
MAOA P21397 2/20 0.51
MEN1 O00255 2/20 0.49
ACHE P22303 1/20 0.48
ALDH1A1 P00352 5/20 0.48
LMNA P02545 1/20 0.48
AGTR1 P30556 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 3/20 0.45
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL9743605 0.85 GAA (0.62) GAAKMT2AMAOBMAOAMEN1
SCHEMBL9373786 0.80 GAA (0.55) GAAKMT2AMAOBMAOAMEN1
SCHEMBL9742555 0.80 GAA (0.53) GAAKMT2AMAOBMAOAMEN1
SCHEMBL9375800 0.79 GAA (0.54) GAAKMT2AMAOBMAOAMEN1
SCHEMBL9376680 0.79 GAA (0.60) GAAKMT2AMAOBMAOAMEN1
SCHEMBL39122 0.78 GAA (0.77) GAAKMT2AMAOBMAOAMEN1
SCHEMBL20390741 0.77 GAA (0.70) GAAKMT2AMAOBMAOAMEN1
SCHEMBL9379388 0.77 GAA (0.52) GAAKMT2AMAOBMAOAMEN1
SCHEMBL9743032 0.77 GAA (0.49) GAAKMT2AMAOBMAOAMEN1
SCHEMBL7248605 0.77 GAA (0.74) GAAKMT2AMAOBMAOAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993024935-A1 TELEPHONE CABLES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-12-09 WO disclosed