SCHEMBL9519170

SCHEMBL9519170

CC(=O)S[C@H]1C[C@@H](COC(C)(C)CNC(=O)OCc2ccc([N+](=O)[O-])cc2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.34
HPGD P15428 1/20 0.34
CCR5 P51681 2/20 0.34
ECE1 P42892 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ABCB1 P08183 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
SCHEMBL9522365 0.93 ALDH1A1 (0.36) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL8098745 0.89 DPP8 (0.39) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL9519349 0.88 DPP8 (0.40) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL9520274 0.85 DPP8 (0.42) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL9520260 0.85 ALDH1A1 (0.36) DPP8DPP9ALDH1A1MAPTATM
SCHEMBL10699747 0.84 CCR5 (0.37) ALDH1A1MAPTATMHPGDCCR5
SCHEMBL10390712 0.84 ALDH1A1 (0.37) DPP8DPP9ALDH1A1MAPTATM
SCHEMBL7858333 0.84 MAOB (0.39) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL10371377 0.84 ALDH1A1 (0.39) ALDH1A1MAPTATMHPGDECE1
SCHEMBL10390470 0.84 ATM (0.39) ALDH1A1MAPTGAAATMHPGD

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