SCHEMBL12964825

SCHEMBL12964825

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 12/20 0.56
▸ OTC P00480 1/20 0.42
▸ PTGS1 P23219 1/20 0.40
▸ GSTK1 Q9Y2Q3 1/20 0.40
▸ CASP2 P42575 1/20 0.40
▸ DPP7 Q9UHL4 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ GLO1 Q04760 1/20 0.39

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
SCHEMBL12964946 0.94 NOD1 (0.63) NOD1
SCHEMBL5076647 0.87 NOD1 (0.64) NOD1OTCCASP2DPP7MMP2
SCHEMBL5076646 0.87 NOD1 (0.64) NOD1OTCCASP2DPP7MMP2
SCHEMBL24115924 0.83 FAAH (0.54) NOD1CASP2CNR1
SCHEMBL13176611 0.83 NOD1 (0.64) NOD1OTCCASP2DPP7MMP2
SCHEMBL12295243 0.82 NOD1 (0.52) NOD1MMP2MMP9MMP8MMP12
SCHEMBL27717842 0.82 NOD1 (0.66) NOD1OTCCASP2DPP7
SCHEMBL20077379 0.82 NOD1 (0.50) NOD1PTGS1GSTK1GLO1
SCHEMBL27620827 0.82 NOD1 (0.66) NOD1OTCCASP2DPP7
SCHEMBL6698108 0.82 NOD1 (0.66) NOD1OTCCASP2DPP7

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-2012130866-A1 NOVEL GLUCAGON ANALOGUES NOVO NORDISK A/S (DK) 2012-10-04 — — WO disclosed
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