SCHEMBL9519940

SCHEMBL9519940

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 2/20 0.37
PLA2G4B P0C869 1/20 0.36
CCR5 P51681 2/20 0.36
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL9521316 0.91 TDP1 (0.39) TDP1ATMPOLBALDH1A1MAPT
SCHEMBL9640929 0.87 TDP1 (0.44) TDP1ATMPOLBALDH1A1MAPT
SCHEMBL10390151 0.87 TDP1 (0.44) TDP1ATMPOLBALDH1A1MAPT
SCHEMBL10861535 0.87 TDP1 (0.44) TDP1ATMPOLBALDH1A1MAPT
SCHEMBL9520887 0.87 TDP1 (0.39) TDP1ATMPOLBALDH1A1MAPT
SCHEMBL6771895 0.86 HTR2A (0.42) TDP1ATMPOLBALDH1A1MAPT
SCHEMBL9520275 0.86 POLB (0.51) POLBALDH1A1RAB9ANPC1
SCHEMBL9522440 0.86 TDP1 (0.38) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9641293 0.85 TDP1 (0.43) TDP1ATMPOLBALDH1A1MAPT
SCHEMBL9640607 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0280771-B1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-28 EP disclosed
EP-0272456-B1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-31 EP disclosed
US-5061804-A 3-thiopyrrolidine as chemical intermediates FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
US-4983596-A Microbiocides; for treatment of infectious diseases FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-01-08 US disclosed
US-4963543-A BACTERICIDES, TREATING INFECTIOUS DISEASES; THIENAMYCINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-16 US disclosed
EP-0341557-A1 3-pyrrolidinylthio-1-azabicyclo(3.2.0)-hept-2-ene-2-carboxylic acid derivatives and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-11-15 EP disclosed
US-4822787-A 3-pyrrolidinylthio-1-azabicyclo(3.2.0)-hept-2-ene-2-carboxylic acid compounds and antimicrobial activity thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0280771-A1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-09-07 EP disclosed
EP-0272456-A1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-29 EP disclosed