SCHEMBL9595372

SCHEMBL9595372

CS(=O)(=O)O[C@@H]1C[C@H](CCC(O)CCNC(=O)OCc2ccc([N+](=O)[O-])cc2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
ABCB1 P08183 1/20 0.39
TGM2 P21980 1/20 0.36
BMP1 P13497 1/20 0.36
CYP19A1 P11511 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
CCR5 P51681 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL9596622 0.93 DPP8 (0.40) DPP8DPP9ABCB1TGM2BMP1
SCHEMBL9519366 0.85 DPP8 (0.42) DPP8DPP9ABCB1TGM2BMP1
SCHEMBL7859716 0.85 PSEN1 (0.39) DPP8DPP9ALDH1A1MAPTHPGD
SCHEMBL9596597 0.85 ABCB1 (0.42) DPP8DPP9ABCB1TGM2BMP1
SCHEMBL9136917 0.85 DPP8 (0.39) DPP8DPP9ABCB1TGM2CYP19A1
SCHEMBL7859861 0.84 PSEN1 (0.40) DPP8DPP9ALDH1A1MAPTHPGD
SCHEMBL8113715 0.83 DPP8 (0.41) DPP8DPP9ABCB1TGM2BMP1
SCHEMBL9595730 0.83 DPP8 (0.43) DPP8DPP9ABCB1TGM2BMP1
SCHEMBL8106599 0.82 DPP8 (0.42) DPP8DPP9TGM2BMP1ALDH1A1
SCHEMBL9137731 0.82 HTT (0.39) ALDH1A1MAPTHPGDTDP1

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