SCHEMBL11432095

SCHEMBL11432095

COc1ccc(CN2CCC2=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.68
CMA1 P23946 1/20 0.56
GSK3A P49840 2/20 0.53
GSK3B P49841 2/20 0.53
ACACB O00763 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
GRM2 Q14416 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 2/20 0.49
BLM P54132 1/20 0.48

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
SCHEMBL4509396 0.90 ACACB (0.64) GAACMA1GSK3AGSK3BACACB
SCHEMBL3459387 0.90 L3MBTL1 (0.64) GAACMA1GSK3AGSK3BACACB
SCHEMBL20303832 0.89 L3MBTL1 (0.67) GAACMA1GSK3AGSK3BACACB
SCHEMBL2874555 0.87 GAA (0.61) GAACMA1GSK3AGSK3BACACB
SCHEMBL15723517 0.85 SMN1; SMN2 (0.61) GAACMA1ACACBMEN1ALDH1A1
SCHEMBL22367284 0.84 GAA (0.51) GAAALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL11432099 0.83 SIGMAR1 (0.60) GAAGSK3AGSK3BSIGMAR1MEN1
SCHEMBL17360667 0.82 CMA1 (0.59) GAACMA1GSK3AGSK3BSIGMAR1
SCHEMBL158547 0.82 GAA (0.55) GAACMA1GSK3AGSK3BACACB
SCHEMBL29607421 0.81 GAA (1.00) GAACMA1GSK3AGSK3BSIGMAR1

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
EP-0023097-A1 De-arylmethylation of N-mono- or N-diarylmethyl-beta-lactams; novel azetizinones having anti-bacterial activity SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-01-28 EP disclosed