SCHEMBL7858635

SCHEMBL7858635

CC(=O)S[C@H]1C[C@@H](C(O)c2ccc(CNC(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc23)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
ATM Q13315 1/20 0.34
CTSL P07711 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLCG1 P19174 1/20 0.33
TGM2 P21980 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL7860563 0.88 DPP8 (0.40) DPP8DPP9ATMTDP1PLCG1
SCHEMBL7860707 0.86 DPP8 (0.40) DPP8DPP9ATMTGM2L3MBTL1
SCHEMBL8583297 0.86 DPP8 (0.40) DPP8DPP9ATMTGM2L3MBTL1
SCHEMBL7854735 0.86 DPP8 (0.36) DPP8DPP9ATMCTSLTDP1
SCHEMBL7859725 0.85 DPP8 (0.37) DPP8DPP9CTSLTDP1PLCG1
SCHEMBL7858354 0.85 DPP8 (0.37) DPP8DPP9ATMCTSLTDP1
SCHEMBL7858359 0.84 DPP8 (0.38) DPP8DPP9ATMTGM2L3MBTL1
SCHEMBL7861468 0.81 ATM (0.42) ATMTDP1RAB9A
SCHEMBL8107953 0.81 DPP8 (0.45) DPP8DPP9ATMCTSLTDP1
SCHEMBL7859920 0.80 ABCB1 (0.40) DPP8DPP9ATMTDP1

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