SCHEMBL9520274

SCHEMBL9520274

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
ECE1 P42892 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TGM2 P21980 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
ABCB1 P08183 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 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
SCHEMBL9520673 0.93 ECE1 (0.37) DPP8DPP9ECE1ALDH1A1MAPT
SCHEMBL9520558 0.89 ECE1 (0.40) ECE1ALDH1A1MAPTATMHPGD
SCHEMBL9519080 0.89 ECE1 (0.37) DPP8DPP9ECE1ALDH1A1MAPT
SCHEMBL9795009 0.88 ECE1 (0.43) ECE1LMNAALDH1A1MAPTATM
SCHEMBL9519188 0.86 ECE1 (0.38) DPP8DPP9ECE1ALDH1A1MAPT
SCHEMBL9794981 0.86 ECE1 (0.38) ECE1ALDH1A1MAPTATMHPGD
SCHEMBL9520697 0.86 DPP8 (0.46) DPP8DPP9LMNASMN1; SMN2TGM2
SCHEMBL9520458 0.86 DPP8 (0.46) DPP8DPP9LMNASMN1; SMN2TGM2
SCHEMBL10390712 0.85 ALDH1A1 (0.37) DPP8DPP9ECE1ALDH1A1MAPT
SCHEMBL9595730 0.85 DPP8 (0.43) DPP8DPP9TGM2ALDH1A1MAPT

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