SCHEMBL8109002

SCHEMBL8109002

O=C(NC1CCCN(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 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.43
DPP9 Q86TI2 2/20 0.43
EPHX1 P07099 3/20 0.40
HSD11B1 P28845 1/20 0.39
DPP4 P27487 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
KCNH2 Q12809 1/20 0.35
HPN P05981 2/20 0.34
ST14 Q9Y5Y6 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 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
SCHEMBL8109004 1.00 DPP8 (0.43) DPP8DPP9EPHX1HSD11B1DPP4
SCHEMBL8104555 0.95 HSD11B1 (0.44) DPP8DPP9EPHX1HSD11B1DPP4
SCHEMBL8095391 0.95 HSD11B1 (0.44) DPP8DPP9EPHX1HSD11B1DPP4
SCHEMBL8104700 0.95 HSD11B1 (0.44) DPP8DPP9EPHX1HSD11B1DPP4
SCHEMBL8102742 0.95 HSD11B1 (0.44) DPP8DPP9EPHX1HSD11B1DPP4
SCHEMBL8102654 0.88 HSD11B1 (0.37) DPP8DPP9EPHX1HSD11B1CTSL
SCHEMBL8108931 0.88 DPP8 (0.41) DPP8DPP9EPHX1DPP4DPP7
SCHEMBL8540340 0.86 HSD11B1 (0.36) DPP8DPP9EPHX1HSD11B1ALDH1A1
SCHEMBL8540343 0.86 HSD11B1 (0.36) DPP8DPP9EPHX1HSD11B1ALDH1A1
SCHEMBL8537617 0.86 HSD11B1 (0.36) DPP8DPP9EPHX1HSD11B1ALDH1A1

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