SCHEMBL8108931

SCHEMBL8108931

O=C(NC1CCCN1C(=O)CC(O)[C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.41
DPP9 Q86TI2 2/20 0.41
DPP4 P27487 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
EPHX1 P07099 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CTRB1 P17538 1/20 0.35
PREP P48147 2/20 0.35
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
CTSK P43235 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL8109002 0.88 DPP8 (0.43) DPP8DPP9DPP4DPP7EPHX1
SCHEMBL8109004 0.88 DPP8 (0.43) DPP8DPP9DPP4DPP7EPHX1
SCHEMBL8104700 0.86 HSD11B1 (0.44) DPP8DPP9DPP4DPP7EPHX1
SCHEMBL8102742 0.86 HSD11B1 (0.44) DPP8DPP9DPP4DPP7EPHX1
SCHEMBL8095391 0.86 HSD11B1 (0.44) DPP8DPP9DPP4DPP7EPHX1
SCHEMBL8104555 0.86 HSD11B1 (0.44) DPP8DPP9DPP4DPP7EPHX1
SCHEMBL8102746 0.82 KMT2A (0.45) DPP8DPP9DPP4DPP7MAPT
SCHEMBL8104461 0.82 KMT2A (0.45) DPP8DPP9DPP4DPP7MAPT
SCHEMBL8588975 0.82 KMT2A (0.45) DPP8DPP9DPP4DPP7MAPT
SCHEMBL8102735 0.82 KMT2A (0.45) DPP8DPP9DPP4DPP7MAPT

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