SCHEMBL9519080

SCHEMBL9519080

CC(=O)S[C@H]1C[C@@H](COCCNS(C)(=O)=O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.37
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CCR5 P51681 2/20 0.34
MAOB P27338 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL9520274 0.89 DPP8 (0.42) ECE1ALDH1A1ATMMAPTHPGD
SCHEMBL9519151 0.88 ALDH1A1 (0.37) CYP19A1ALDH1A1ATMMAPTHPGD
SCHEMBL9520673 0.88 ECE1 (0.37) ECE1ALDH1A1ATMMAPTHPGD
SCHEMBL9519207 0.88 CYP19A1 (0.37) CYP19A1ALDH1A1ATMMAPTHPGD
SCHEMBL9520558 0.87 ECE1 (0.40) ECE1ALDH1A1ATMMAPTHPGD
SCHEMBL9795009 0.87 ECE1 (0.43) ECE1ALDH1A1ATMMAPTHPGD
SCHEMBL9522357 0.85 CYP19A1 (0.36) CYP19A1ALDH1A1ATMMAPTHPGD
SCHEMBL9519188 0.85 ECE1 (0.38) ECE1ALDH1A1ATMMAPTHPGD
SCHEMBL9794981 0.85 ECE1 (0.38) ECE1ALDH1A1ATMMAPTHPGD
SCHEMBL10371377 0.84 ALDH1A1 (0.39) ECE1ALDH1A1ATMMAPTHPGD

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 4 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-4963543-A BACTERICIDES, TREATING INFECTIOUS DISEASES; THIENAMYCINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-16 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