SCHEMBL8436718

SCHEMBL8436718

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
EPHX1 P07099 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL28804781 1.00 HSD11B1 (0.45) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL22406792 1.00 HSD11B1 (0.45) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL8436720 1.00 HSD11B1 (0.45) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL28804784 1.00 HSD11B1 (0.45) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL8441215 1.00 HSD11B1 (0.45) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL8438227 0.93 DPP8 (0.42) HSD11B1DPP8DPP9EPHX1ALDH1A1
SCHEMBL8104455 0.91 HSD11B1 (0.37) HSD11B1DPP8DPP9SIGMAR1EPHX2
SCHEMBL8095089 0.90 HSD11B1 (0.43) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL7455094 0.90 CTRB1 (0.42) CTSBCTSKALDH1A1LMNA
SCHEMBL8110317 0.90 HSD11B1 (0.43) HSD11B1DPP8DPP9EPHX1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed