SCHEMBL8095227

SCHEMBL8095227

O=C(CC(O)[C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
ENPP2 Q13822 5/20 0.36
EPHX2 P34913 1/20 0.35
F13A1 P00488 2/20 0.35
TGM2 P21980 2/20 0.35
TGM1 P22735 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CCR2 P41597 2/20 0.35
CCR5 P51681 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
SCHEMBL8095063 1.00 HSD11B1 (0.40) HSD11B1SIGMAR1DPP8DPP9ENPP2
SCHEMBL8110282 0.92 SIGMAR1 (0.36) HSD11B1SIGMAR1DPP8DPP9EPHX2
SCHEMBL8104555 0.90 HSD11B1 (0.44) HSD11B1SIGMAR1DPP8DPP9ENPP2
SCHEMBL8095391 0.90 HSD11B1 (0.44) HSD11B1SIGMAR1DPP8DPP9ENPP2
SCHEMBL8104700 0.90 HSD11B1 (0.44) HSD11B1SIGMAR1DPP8DPP9ENPP2
SCHEMBL8102742 0.90 HSD11B1 (0.44) HSD11B1SIGMAR1DPP8DPP9ENPP2
SCHEMBL8540671 0.88 HSD11B1 (0.36) HSD11B1SIGMAR1DPP8DPP9ENPP2
SCHEMBL8095120 0.88 SIGMAR1 (0.38) HSD11B1SIGMAR1DPP8DPP9ENPP2
SCHEMBL8102759 0.86 HSD11B1 (0.34) HSD11B1SIGMAR1DPP8DPP9EPHX2
SCHEMBL8102654 0.85 HSD11B1 (0.37) HSD11B1SIGMAR1DPP8DPP9EPHX2

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