SCHEMBL8102742

SCHEMBL8102742

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.44
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
EPHX1 P07099 2/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
EPHX2 P34913 1/20 0.36
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
DPP4 P27487 2/20 0.34
KCNH2 Q12809 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
ENPP2 Q13822 2/20 0.34
KMT2A Q03164 1/20 0.33

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 1.00 HSD11B1 (0.44) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL8095391 1.00 HSD11B1 (0.44) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL8104555 1.00 HSD11B1 (0.44) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL8109002 0.95 DPP8 (0.43) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL8109004 0.95 DPP8 (0.43) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL8102654 0.93 HSD11B1 (0.37) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL8540340 0.91 HSD11B1 (0.36) HSD11B1DPP8DPP9EPHX1EPHX2
SCHEMBL8540343 0.91 HSD11B1 (0.36) HSD11B1DPP8DPP9EPHX1EPHX2
SCHEMBL8537617 0.91 HSD11B1 (0.36) HSD11B1DPP8DPP9EPHX1EPHX2
SCHEMBL8537616 0.91 HSD11B1 (0.36) HSD11B1DPP8DPP9EPHX1EPHX2

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