SCHEMBL9518985

SCHEMBL9518985

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 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
SCHEMBL9520708 0.92 DPP8 (0.46) DPP8DPP9TDP1POLBALDH1A1
SCHEMBL9519405 0.91 DPP8 (0.40) DPP8DPP9TDP1ALDH1A1GAA
Hydrochloric Acid SCHEMBL9520292 0.88 TDP1 (0.38) DPP8DPP9TDP1POLBALDH1A1
SCHEMBL10699078 0.88 TDP1 (0.39) DPP8DPP9TDP1POLBALDH1A1
SCHEMBL9520226 0.88 TDP1 (0.39) DPP8DPP9TDP1POLBALDH1A1
SCHEMBL8690849 0.87 DPP8 (0.35) DPP8DPP9TDP1POLBALDH1A1
SCHEMBL10371347 0.87 DPP8 (0.41) DPP8DPP9TDP1POLBALDH1A1
SCHEMBL8691045 0.85 ALDH1A1 (0.38) DPP8DPP9TDP1POLBALDH1A1
SCHEMBL8925234 0.85 ALDH1A1 (0.38) DPP8DPP9TDP1POLBALDH1A1
SCHEMBL8690166 0.84 ALDH1A1 (0.38) TDP1POLBALDH1A1RAB9AMAPT

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