SCHEMBL9728361

SCHEMBL9728361

O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
ATM Q13315 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.41
MMP2 P08253 1/20 0.40
ANPEP P15144 1/20 0.40
IDO1 P14902 1/20 0.40
AKR1C3 P42330 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6778186 1.00 TDP1 (0.48) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9728346 0.93 GAA (0.48) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9205704 0.93 GAA (0.48) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9727808 0.93 GAA (0.48) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9728425 0.93 GAA (0.48) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9199841 0.93 GAA (0.48) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9727869 0.93 GAA (0.48) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL6771627 0.92 MMP2 (0.49) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9847239 0.92 MMP2 (0.49) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8691622 0.92 MMP2 (0.49) TDP1ATMALDH1A1MAPTHPGD

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