SCHEMBL9208976

SCHEMBL9208976

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.40
MAOB P27338 1/20 0.40
CCR5 P51681 2/20 0.40
HTT P42858 1/20 0.39
HTR2A P28223 1/20 0.39
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL9205224 1.00 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL9727986 1.00 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL336792 1.00 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL337168 1.00 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL9200520 0.92 ALDH1A1 (0.41) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL9202856 0.90 ALDH1A1 (0.40) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL9728345 0.90 ALDH1A1 (0.40) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL28694366 0.89 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL9687135 0.89 POLB (0.45) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL28712277 0.89 POLB (0.45) ALDH1A1MAPTHPGDTDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126587-B1 Carboxylic thio-pyrrolidinyl beta-lactam compounds and production thereof SUMITOMO PHARMA (JP) 1995-04-19 EP disclosed
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