SCHEMBL9519403

SCHEMBL9519403

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
CCR5 P51681 2/20 0.36
ABCB1 P08183 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
TGM2 P21980 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
SCHEMBL9519853 0.93 ALDH1A1 (0.36) DPP8DPP9ALDH1A1MAPTCCR5
SCHEMBL8098250 0.89 DPP8 (0.38) DPP8DPP9ALDH1A1MAPTCCR5
SCHEMBL9519349 0.87 DPP8 (0.40) DPP8DPP9ALDH1A1MAPTCCR5
SCHEMBL9519366 0.85 DPP8 (0.42) DPP8DPP9ALDH1A1MAPTCCR5
SCHEMBL9519722 0.85 CCR5 (0.38) DPP8DPP9ALDH1A1MAPTCCR5
SCHEMBL7859907 0.84 PSEN1 (0.39) DPP8DPP9ALDH1A1MAPTPSEN1
SCHEMBL7859861 0.84 PSEN1 (0.40) DPP8DPP9ALDH1A1MAPTCCR5
SCHEMBL9519170 0.83 DPP8 (0.38) DPP8DPP9ALDH1A1MAPTCCR5
SCHEMBL9519224 0.82 ALDH1A1 (0.37) ALDH1A1MAPTCCR5HPGDTDP1
SCHEMBL9137731 0.82 HTT (0.39) ALDH1A1MAPTGAAHPGDTDP1

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