SCHEMBL9519946

SCHEMBL9519946

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
PREP P48147 3/20 0.39
HTT P42858 1/20 0.39
HTR2A P28223 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL9521309 0.91 ALDH1A1 (0.39) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9522436 0.87 TDP1 (0.38) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9520280 0.86 PREP (0.50) PREPPOLB
SCHEMBL10698245 0.83 TDP1 (0.42) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL10858260 0.82 DPP8 (0.41) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL10699226 0.81 ALDH1A1 (0.40) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL10697655 0.81 TDP1 (0.40) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9794983 0.80 ALDH1A1 (0.39) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL7806688 0.80 TDP1 (0.41) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL10699439 0.80 TDP1 (0.39) TDP1ATMALDH1A1MAPTHPGD

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