SCHEMBL9640929

SCHEMBL9640929

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 2/20 0.40
IDO1 P14902 1/20 0.38
NPC1 O15118 1/20 0.38
AKR1C3 P42330 1/20 0.38
HTT P42858 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
SCHEMBL10861535 1.00 TDP1 (0.44) TDP1ATMPOLBALDH1A1MAPT
SCHEMBL10390151 1.00 TDP1 (0.44) TDP1ATMPOLBALDH1A1MAPT
SCHEMBL9641293 0.89 TDP1 (0.43) TDP1ATMPOLBALDH1A1MAPT
SCHEMBL10390385 0.88 GAA (0.44) TDP1ATMPOLBALDH1A1MAPT
SCHEMBL10390590 0.87 TDP1 (0.42) TDP1ATMPOLBALDH1A1MAPT
SCHEMBL9519940 0.87 TDP1 (0.42) TDP1ATMPOLBALDH1A1MAPT
SCHEMBL7854717 0.87 TDP1 (0.50) TDP1ATMPOLBALDH1A1MAPT
SCHEMBL6771895 0.86 HTR2A (0.42) TDP1ATMPOLBALDH1A1MAPT
SCHEMBL9640607 0.85 ALDH1A1 (0.42) TDP1ATMPOLBALDH1A1MAPT
SCHEMBL10739299 0.85 ALDH1A1 (0.42) TDP1ATMPOLBALDH1A1MAPT

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 6 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
US-4962103-A MICROBIOCIDES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-10-09 US disclosed
EP-0182213-B1 CARBAPENEM COMPOUNDS AND PRODUCTION THEREOF SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-09-26 EP disclosed
EP-0243686-A2 Beta-lactam compounds, and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-04 EP disclosed
EP-0182213-A1 Carbapenem compounds and production thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-05-28 EP disclosed