SCHEMBL9519349

SCHEMBL9519349

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CCR5 P51681 2/20 0.35
TGM2 P21980 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 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
SCHEMBL9519806 0.92 ALDH1A1 (0.39) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL9519170 0.88 DPP8 (0.38) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL9519403 0.87 DPP8 (0.37) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL9518937 0.84 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL9520697 0.83 DPP8 (0.46) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL7862659 0.82 CYP2C9 (0.41) DPP8DPP9MAPTGAAKMT2A
SCHEMBL10363296 0.81 MAOB (0.42) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL9522365 0.80 ALDH1A1 (0.36) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL8782246 0.80 HTT (0.40) DPP8DPP9ALDH1A1MAPTHPGD
SCHEMBL9078142 0.80 HTT (0.40) DPP8DPP9ALDH1A1MAPTHPGD

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