SCHEMBL8102759

SCHEMBL8102759

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
EPHX2 P34913 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
KMT2A Q03164 1/20 0.31
C3AR1 Q16581 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL8104700 0.90 HSD11B1 (0.44) HSD11B1EPHX2DPP8DPP9ALDH1A1
SCHEMBL8095391 0.90 HSD11B1 (0.44) HSD11B1EPHX2DPP8DPP9ALDH1A1
SCHEMBL8104555 0.90 HSD11B1 (0.44) HSD11B1EPHX2DPP8DPP9ALDH1A1
SCHEMBL8102742 0.90 HSD11B1 (0.44) HSD11B1EPHX2DPP8DPP9ALDH1A1
SCHEMBL8102654 0.89 HSD11B1 (0.37) HSD11B1EPHX2DPP8DPP9ALDH1A1
SCHEMBL8110282 0.89 SIGMAR1 (0.36) HSD11B1EPHX2DPP8DPP9ALDH1A1
SCHEMBL8104577 0.86 DPP8 (0.36) DPP8DPP9ALDH1A1LMNAKMT2A
SCHEMBL8095227 0.86 HSD11B1 (0.40) HSD11B1EPHX2DPP8DPP9ALDH1A1
SCHEMBL8095063 0.86 HSD11B1 (0.40) HSD11B1EPHX2DPP8DPP9ALDH1A1
SCHEMBL8109004 0.86 DPP8 (0.43) HSD11B1DPP8DPP9ALDH1A1KMT2A

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
US-6090802-A BACTERICIDE SANKYO COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0882728-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-09 EP disclosed