SCHEMBL12295252

SCHEMBL12295252

CCCCNC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CO)C(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 8/20 0.61
▸ MMP2 P08253 4/20 0.54
▸ MMP9 P14780 4/20 0.54
▸ MMP8 P22894 3/20 0.54
▸ MMP12 P39900 3/20 0.54
▸ MMP14 P50281 3/20 0.54
▸ GLP1R P43220 8/20 0.52

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
SCHEMBL22479777 0.88 NOD1 (0.80) NOD1GLP1R
SCHEMBL12296667 0.88 NOD1 (0.80) NOD1GLP1R
SCHEMBL14728360 0.88 NOD1 (0.80) NOD1GLP1R
SCHEMBL21099866 0.87 NOD1 (0.78) NOD1GLP1R
SCHEMBL15783567 0.85 NOD1 (0.62) NOD1MMP2MMP9MMP8MMP12
SCHEMBL21966296 0.85 NOD1 (0.71) NOD1GLP1R
SCHEMBL13922028 0.85 NOD1 (0.71) NOD1GLP1R
SCHEMBL20146943 0.85 NOD1 (0.71) NOD1GLP1R
SCHEMBL12686627 0.85 NOD1 (0.71) NOD1GLP1R
SCHEMBL20146988 0.85 NOD1 (0.71) NOD1GLP1R

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
WO-2011117416-A1 NOVEL GLUCAGON ANALOGUES NOVO NORDISK A/S (DK) 2011-09-29 — — WO disclosed
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