SCHEMBL7561889

SCHEMBL7561889

CNC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N(CC(=O)NC1CN(C(=O)C2CC(S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.31
PLCG1 P19174 1/20 0.31
CCR5 P51681 3/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MMP2 P08253 1/20 0.30
ANPEP P15144 1/20 0.30

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
SCHEMBL7451770 1.00 PKM (0.31) PKMPLCG1CCR5ALDH1A1MAPT
SCHEMBL7448989 0.95 SIGMAR1 (0.32) CCR5
SCHEMBL7453403 0.90 CCR5 (0.32) PKMCCR5
SCHEMBL8102845 0.88 SIGMAR1 (0.34) PLCG1ALDH1A1
SCHEMBL7451764 0.86 DPP8 (0.32) CCR5ALDH1A1MAPTHPGDMMP2
SCHEMBL7451757 0.86 DPP8 (0.32) CCR5ALDH1A1MAPTHPGDMMP2
SCHEMBL8448824 0.85 NR1D1 (0.34) CCR5ALDH1A1MAPTHPGD
SCHEMBL7457360 0.85 PLCG1 (0.37) PKMPLCG1CCR5ALDH1A1MAPT
SCHEMBL7453536 0.85 SIGMAR1 (0.33) CCR5ALDH1A1
SCHEMBL7454239 0.85 CCR5 (0.31) CCR5ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882728-B1 1-METHYLCARBAPENEM DERIVATIVES SANKYO CO (JP) 2002-09-04 EP disclosed