SCHEMBL12295243

SCHEMBL12295243

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 7/20 0.52
▸ GLP1R P43220 8/20 0.46
▸ MMP2 P08253 2/20 0.45
▸ MMP9 P14780 2/20 0.45
▸ MMP8 P22894 2/20 0.45
▸ MMP12 P39900 2/20 0.45
▸ MMP14 P50281 2/20 0.45
▸ EPHX2 P34913 2/20 0.44
▸ SLC6A5 Q9Y345 1/20 0.41

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
SCHEMBL12964748 0.91 NOD1 (0.51) NOD1GLP1RMMP2MMP9MMP8
SCHEMBL12964931 0.91 NOD1 (0.51) NOD1GLP1RMMP2MMP9MMP8
SCHEMBL12964830 0.91 NOD1 (0.51) NOD1GLP1RMMP2MMP9MMP8
SCHEMBL12964949 0.91 NOD1 (0.51) NOD1GLP1RMMP2MMP9MMP8
SCHEMBL12295889 0.89 NOD1 (0.59) NOD1GLP1REPHX2
SCHEMBL12964946 0.89 NOD1 (0.63) NOD1GLP1R
SCHEMBL12964829 0.87 NOD1 (0.47) NOD1GLP1RMMP2MMP9MMP8
SCHEMBL12964751 0.84 NOD1 (0.44) NOD1GLP1RMMP2MMP9MMP8
SCHEMBL12964929 0.84 NOD1 (0.44) NOD1GLP1RMMP2MMP9MMP8
SCHEMBL12964825 0.82 NOD1 (0.56) NOD1MMP2MMP9MMP8MMP12

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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