SCHEMBL7858359

SCHEMBL7858359

CC(=O)S[C@H]1C[C@@H](C(O)c2ccc(-c3ccc(CNC(=O)OCc4ccc([N+](=O)[O-])cc4)cc3)cc2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
TGM2 P21980 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MMP2 P08253 1/20 0.33
BCHE P06276 1/20 0.33
EPHX1 P07099 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
SCHEMBL7860707 0.98 DPP8 (0.40) DPP8DPP9GAAL3MBTL1TGM2
SCHEMBL8583297 0.98 DPP8 (0.40) DPP8DPP9GAAL3MBTL1TGM2
SCHEMBL7858354 0.89 DPP8 (0.37) DPP8DPP9ATMALDH1A1MAPT
SCHEMBL7859853 0.87 DPP8 (0.41) DPP8DPP9GAAL3MBTL1ADAMTS5
SCHEMBL7861468 0.86 ATM (0.42) ATMALDH1A1MAPTHPGD
SCHEMBL7859865 0.86 DPP8 (0.38) DPP8DPP9ADAMTS5TGM2ATM
SCHEMBL8584249 0.84 DPP8 (0.43) DPP8DPP9GAAL3MBTL1TGM2
SCHEMBL7862666 0.84 DPP8 (0.43) DPP8DPP9GAAL3MBTL1TGM2
SCHEMBL7858635 0.84 DPP8 (0.38) DPP8DPP9L3MBTL1TGM2ATM
SCHEMBL8107953 0.84 DPP8 (0.45) DPP8DPP9GAATGM2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747381-B1 CARBAPENEM DERIVATIVE BANYU PHARMA CO LTD (JP) 2001-10-31 EP disclosed
EP-0747381-A1 CARBAPENEM DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-12-11 EP disclosed