SCHEMBL7859871

SCHEMBL7859871

CC(=O)S[C@H]1C[C@@H](Cc2ccc(CNC(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.36
EPHX1 P07099 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
TGM2 P21980 1/20 0.35
TACR1 P25103 1/20 0.34

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
SCHEMBL7859865 0.97 DPP8 (0.38) DPP8DPP9PSEN1PSEN2APH1B
SCHEMBL7860568 0.93 HTT (0.38) DPP8DPP9PSEN1PSEN2APH1B
SCHEMBL7859712 0.92 DPP8 (0.39) DPP8DPP9PSEN1PSEN2APH1B
SCHEMBL7860576 0.92 DPP8 (0.39) DPP8DPP9PSEN1PSEN2APH1B
SCHEMBL7858333 0.90 MAOB (0.39) DPP8DPP9PSEN1PSEN2APH1B
SCHEMBL7854735 0.90 DPP8 (0.36) DPP8DPP9PSEN1PSEN2APH1B
SCHEMBL7860059 0.88 ATM (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7861793 0.87 ECE1 (0.36) DPP8DPP9ALDH1A1ATMHTT
SCHEMBL7852750 0.86 DPP8 (0.43) DPP8DPP9PSEN1PSEN2APH1B
SCHEMBL8583297 0.85 DPP8 (0.40) DPP8DPP9PSEN1PSEN2APH1B

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