SCHEMBL9640607

SCHEMBL9640607

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.40
MAOB P27338 1/20 0.40
OPRK1 P41145 1/20 0.39
HTT P42858 2/20 0.39
HTR2A P28223 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 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
SCHEMBL10739299 1.00 ALDH1A1 (0.42) ALDH1A1MAPTHPGDTDP1POLB
SCHEMBL6771895 0.90 HTR2A (0.42) ALDH1A1MAPTHPGDTDP1POLB
SCHEMBL10363296 0.89 MAOB (0.42) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL10371377 0.86 ALDH1A1 (0.39) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL9519940 0.85 TDP1 (0.42) ALDH1A1MAPTHPGDTDP1POLB
SCHEMBL8690166 0.85 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTDP1POLB
SCHEMBL8923130 0.85 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTDP1POLB
SCHEMBL9519038 0.85 TDP1 (0.40) ALDH1A1MAPTHPGDTDP1POLB
SCHEMBL10861535 0.85 TDP1 (0.44) ALDH1A1MAPTHPGDTDP1POLB
SCHEMBL10390151 0.85 TDP1 (0.44) ALDH1A1MAPTHPGDTDP1POLB

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