SCHEMBL7859907

SCHEMBL7859907

CS(=O)(=O)O[C@@H]1C[C@@H](COc2ccc(CNC(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MAOB P27338 1/20 0.39
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL7859861 0.90 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7859716 0.89 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7858313 0.88 TDP1 (0.41) MAOBCA12CA1CA2CA7
SCHEMBL7864036 0.88 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7852642 0.88 CYP2C9 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7862659 0.87 CYP2C9 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9519366 0.85 DPP8 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9519403 0.84 DPP8 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7860714 0.84 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7858333 0.83 MAOB (0.39) PSEN1PSEN2APH1BNCSTNAPH1A

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