SCHEMBL9520187

SCHEMBL9520187

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
ABCB1 P08183 1/20 0.35
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
TGM2 P21980 1/20 0.32
CTSL P07711 4/20 0.32
HPGD P15428 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA5 P08648 1/20 0.31
ITGB5 P18084 1/20 0.31
CCR5 P51681 2/20 0.30
GAA P10253 1/20 0.30
BMP1 P13497 1/20 0.30

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
SCHEMBL9518902 0.90 DPP8 (0.36) DPP8DPP9ABCB1ALDH1A1MAPT
SCHEMBL9519341 0.86 DPP8 (0.39) DPP8DPP9ALDH1A1MAPTTGM2
SCHEMBL8693559 0.83 ALDH1A1 (0.35) DPP8DPP9ABCB1ALDH1A1MAPT
SCHEMBL9202417 0.83 ALDH1A1 (0.35) DPP8DPP9ABCB1ALDH1A1MAPT
SCHEMBL9519361 0.83 ALDH1A1 (0.34) DPP8DPP9ALDH1A1MAPTHPGD
SCHEMBL9605061 0.83 ABCB1 (0.39) DPP8DPP9ABCB1ALDH1A1MAPT
SCHEMBL8693554 0.83 ALDH1A1 (0.35) ALDH1A1MAPTHPGDCCR5
SCHEMBL9202413 0.83 ALDH1A1 (0.35) ALDH1A1MAPTHPGDCCR5
SCHEMBL8923335 0.82 ALDH1A1 (0.37) ALDH1A1MAPTHPGDCCR5
SCHEMBL8693094 0.82 ALDH1A1 (0.37) ALDH1A1MAPTHPGDCCR5

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