SCHEMBL9519341

SCHEMBL9519341

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
TGM2 P21980 1/20 0.35
CTSL P07711 5/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
OPRK1 P41145 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL9595530 0.89 DPP8 (0.41) DPP8DPP9TGM2CTSLPOLB
SCHEMBL9519184 0.86 CTSL (0.36) DPP8DPP9TGM2CTSLALDH1A1
SCHEMBL9520187 0.86 DPP8 (0.35) DPP8DPP9TGM2CTSLALDH1A1
SCHEMBL9520708 0.83 DPP8 (0.46) DPP8DPP9TGM2POLBALDH1A1
SCHEMBL9596193 0.83 DPP8 (0.44) DPP8DPP9TGM2CTSLPOLB
SCHEMBL8690173 0.81 HTR2A (0.38) DPP8DPP9POLBALDH1A1MAPT
SCHEMBL8923133 0.81 HTR2A (0.38) DPP8DPP9POLBALDH1A1MAPT
SCHEMBL8106398 0.80 DPP8 (0.39) DPP8DPP9TGM2CTSLALDH1A1
SCHEMBL8690166 0.80 ALDH1A1 (0.38) POLBALDH1A1MAPTOPRK1HPGD
SCHEMBL8923130 0.80 ALDH1A1 (0.38) POLBALDH1A1MAPTOPRK1HPGD

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