SCHEMBL9640924

SCHEMBL9640924

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.38
PLCG1 P19174 1/20 0.38
HTT P42858 1/20 0.36
HTR2A P28223 1/20 0.36
CCR5 P51681 1/20 0.36

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
SCHEMBL10859148 0.90 ALDH1A1 (0.40) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL9640044 0.90 ALDH1A1 (0.40) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL10390567 0.89 ALDH1A1 (0.42) POLBALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL9641293 0.88 TDP1 (0.43) POLBALDH1A1MAPTHPGDTDP1
SCHEMBL10390590 0.84 TDP1 (0.42) POLBALDH1A1MAPTHPGDTDP1
Ammonia Solution, Strong SCHEMBL27921882 0.83 ALDH1A1 (0.41) POLBALDH1A1L3MBTL1MAPTHPGD
SCHEMBL10390385 0.83 GAA (0.44) POLBALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL7852848 0.82 ATM (0.43) POLBALDH1A1MAPTHPGDTDP1
SCHEMBL9640607 0.82 ALDH1A1 (0.42) POLBALDH1A1MAPTHPGDTDP1
SCHEMBL10739299 0.82 ALDH1A1 (0.42) POLBALDH1A1MAPTHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0243686-B1 BETA-LACTAM COMPOUNDS, AND THEIR PRODUCTION SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-07-15 EP disclosed
US-5093328-A Carbapenicillin antibiotics SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-03-03 US disclosed
EP-0243686-A2 Beta-lactam compounds, and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-04 EP disclosed