SCHEMBL8537616

SCHEMBL8537616

O=C(/N=C(/NC(=O)OCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C(=O)C[C@H](O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
EPHX1 P07099 1/20 0.31
ENPP2 Q13822 2/20 0.30
C3AR1 Q16581 1/20 0.30

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
SCHEMBL8537617 1.00 HSD11B1 (0.36) HSD11B1DPP8DPP9EPHX2ALDH1A1
SCHEMBL8540340 1.00 HSD11B1 (0.36) HSD11B1DPP8DPP9EPHX2ALDH1A1
SCHEMBL8540343 1.00 HSD11B1 (0.36) HSD11B1DPP8DPP9EPHX2ALDH1A1
SCHEMBL8108958 0.94 ALDH1A1 (0.35) HSD11B1DPP8DPP9EPHX2ALDH1A1
SCHEMBL8108961 0.94 ALDH1A1 (0.35) HSD11B1DPP8DPP9EPHX2ALDH1A1
SCHEMBL8104555 0.91 HSD11B1 (0.44) HSD11B1DPP8DPP9EPHX2ALDH1A1
SCHEMBL8104700 0.91 HSD11B1 (0.44) HSD11B1DPP8DPP9EPHX2ALDH1A1
SCHEMBL8095391 0.91 HSD11B1 (0.44) HSD11B1DPP8DPP9EPHX2ALDH1A1
SCHEMBL8102742 0.91 HSD11B1 (0.44) HSD11B1DPP8DPP9EPHX2ALDH1A1
SCHEMBL8102654 0.89 HSD11B1 (0.37) HSD11B1DPP8DPP9EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882728-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-09 EP disclosed