SCHEMBL9519224

SCHEMBL9519224

CS(=O)(=O)O[C@@H]1C[C@@H](COCCO)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CCR5 P51681 2/20 0.36
ATM Q13315 1/20 0.35
MAOB P27338 1/20 0.34
HTT P42858 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL9795094 0.94 ALDH1A1 (0.37) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL9520276 0.92 ALDH1A1 (0.37) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL9794987 0.91 ALDH1A1 (0.39) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL9522357 0.90 CYP19A1 (0.36) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL9522440 0.89 TDP1 (0.38) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL9519366 0.89 DPP8 (0.42) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL7805407 0.89 ALDH1A1 (0.41) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL9519220 0.89 ALDH1A1 (0.37) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL9795051 0.88 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL9520780 0.88 DPP8 (0.36) ALDH1A1MAPTHPGDTDP1CCR5

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-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
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
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