SCHEMBL9728624

SCHEMBL9728624

CC(C)(C)OC(=O)CC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
MAPT P10636 1/20 0.59
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
NR1D1 P20393 1/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 2/20 0.47
HTR2A P28223 1/20 0.47
IDO1 P14902 1/20 0.46

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
SCHEMBL1555636 0.88 ALDH1A1 (0.59) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL6943834 0.88 ALDH1A1 (0.62) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL27787118 0.85 GAA (0.60) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL5723865 0.85 ALDH1A1 (0.65) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL9344653 0.84 LMNA (0.57) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL10389201 0.84 ALDH1A1 (0.49) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL6046651 0.83 ALDH1A1 (0.53) ALDH1A1MAPTGAAMAPK1RAB9A
SCHEMBL6046662 0.83 ALDH1A1 (0.54) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL9044759 0.83 ALDH1A1 (0.52) ALDH1A1MAPTGAAL3MBTL1RAB9A
SCHEMBL10389171 0.83 ALDH1A1 (0.50) ALDH1A1MAPTGAAL3MBTL1MAPK1

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
US-5122604-A 2-(2-Carbonyl-substituted pyrrolidin-4-yl)carbapenems and -penems; microbiocides SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1992-06-16 US disclosed
US-4943569-A B-lactam compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1990-07-24 US disclosed
US-4933333-A β-lactam compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1990-06-12 US disclosed
EP-0126587-A1 Carboxylic thio-pyrrolidinyl beta-lactam compounds and production thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1984-11-28 EP disclosed