SCHEMBL9520708

SCHEMBL9520708

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
TGM2 P21980 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 4/20 0.37
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 3/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.36
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 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
SCHEMBL9518985 0.92 DPP8 (0.40) DPP8DPP9TDP1ALDH1A1GAA
SCHEMBL9519178 0.91 DPP8 (0.46) DPP8DPP9TGM2TDP1ALDH1A1
Hydrochloric Acid SCHEMBL9520292 0.87 TDP1 (0.38) DPP8DPP9TDP1ALDH1A1POLB
SCHEMBL9520458 0.85 DPP8 (0.46) DPP8DPP9TGM2TDP1ALDH1A1
SCHEMBL8690166 0.85 ALDH1A1 (0.38) TDP1ALDH1A1POLBMAPTATM
SCHEMBL8923130 0.85 ALDH1A1 (0.38) TDP1ALDH1A1POLBMAPTATM
SCHEMBL10699078 0.85 TDP1 (0.39) DPP8DPP9TDP1ALDH1A1POLB
SCHEMBL9520226 0.85 TDP1 (0.39) DPP8DPP9TDP1ALDH1A1POLB
SCHEMBL8690849 0.84 DPP8 (0.35) DPP8DPP9TDP1ALDH1A1GAA
SCHEMBL9521056 0.84 DPP8 (0.41) DPP8DPP9TGM2TDP1ALDH1A1

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 3 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
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