SCHEMBL7864036

SCHEMBL7864036

CS(=O)(=O)O[C@@H]1C[C@@H](Cc2ccc(-c3ccc(CNC(=O)OCc4ccc([N+](=O)[O-])cc4)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 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
MMP2 P08253 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
SCN9A Q15858 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 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
SCHEMBL7859861 0.98 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7859716 0.89 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7862631 0.89 DAGLB (0.37) ALDH1A1MAPTSMN1; SMN2HPGDKDM4E
SCHEMBL7859907 0.88 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7860714 0.88 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7860674 0.86 TDP1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7852750 0.84 DPP8 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9137731 0.83 HTT (0.39) ALDH1A1MAPTHPGD
SCHEMBL7859865 0.83 DPP8 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8098250 0.83 DPP8 (0.38) DPP8DPP9ALDH1A1MAPTHPGD

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