SCHEMBL9596193

SCHEMBL9596193

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
TGM2 P21980 1/20 0.37
POLB P06746 1/20 0.35
BMP1 P13497 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
NR1H4 Q96RI1 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
CTSL P07711 1/20 0.34
ABCB1 P08183 1/20 0.33
HTT P42858 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
SCHEMBL9595530 0.93 DPP8 (0.41) DPP8DPP9TGM2POLBALDH1A1
SCHEMBL9519341 0.83 DPP8 (0.39) DPP8DPP9TGM2POLBALDH1A1
SCHEMBL9520708 0.80 DPP8 (0.46) DPP8DPP9TGM2POLBALDH1A1
SCHEMBL9520458 0.80 DPP8 (0.46) DPP8DPP9TGM2POLBALDH1A1
SCHEMBL8113765 0.79 DPP8 (0.44) DPP8DPP9TGM2POLBBMP1
SCHEMBL8113681 0.79 DPP8 (0.44) DPP8DPP9TGM2POLBBMP1
SCHEMBL9640607 0.78 ALDH1A1 (0.42) POLBALDH1A1MAPTHPGDTDP1
SCHEMBL10739299 0.78 ALDH1A1 (0.42) POLBALDH1A1MAPTHPGDTDP1
SCHEMBL7852750 0.78 DPP8 (0.43) DPP8DPP9TGM2POLBALDH1A1
SCHEMBL9595730 0.78 DPP8 (0.43) DPP8DPP9TGM2BMP1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993011128-A1 AMINOALKYLPYRROLIDINYLTHIOCARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-10 WO disclosed