SCHEMBL9595306

SCHEMBL9595306

CC(=O)S[C@H]1C[C@H](CCC(O)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 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
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
CTSL P07711 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ABCB1 P08183 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 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
SCHEMBL9595730 0.93 DPP8 (0.43) DPP8DPP9TGM2ALDH1A1MAPT
SCHEMBL7859712 0.86 DPP8 (0.39) DPP8DPP9ALDH1A1MAPTATM
SCHEMBL7860576 0.86 DPP8 (0.39) DPP8DPP9ALDH1A1MAPTATM
SCHEMBL8106398 0.85 DPP8 (0.39) DPP8DPP9TGM2ALDH1A1MAPT
SCHEMBL8112431 0.85 DPP8 (0.38) DPP8DPP9TGM2ALDH1A1MAPT
SCHEMBL10391487 0.84 ALDH1A1 (0.38) ALDH1A1MAPTATMHPGDTDP1
SCHEMBL7859871 0.84 DPP8 (0.40) DPP8DPP9TGM2ALDH1A1MAPT
SCHEMBL9596622 0.83 DPP8 (0.40) DPP8DPP9TGM2ALDH1A1MAPT
SCHEMBL10390149 0.83 ALDH1A1 (0.41) ALDH1A1MAPTATMHPGDTDP1
SCHEMBL9041342 0.83 ATM (0.40) ALDH1A1MAPTATMHPGDTDP1

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