SCHEMBL12964752

SCHEMBL12964752

CC(=O)N[C@@H](CCC(=O)N[C@H](CO)CCC(=O)N[C@@H](CCC(=O)N[C@H](CO)CCC(=O)NCCCC[C@H](NO)C(=O)I)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 4/20 0.48
▸ FOLH1 Q04609 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GLP1R P43220 8/20 0.41
▸ NOD1 Q9Y239 4/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.36

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
SCHEMBL17040366 0.92 ALB (0.55) ALBFOLH1SMN1; SMN2GLP1RNOD1
SCHEMBL12964810 0.84 NOD1 (0.52) ALBFOLH1GLP1RNOD1
SCHEMBL12964933 0.84 NOD1 (0.52) ALBFOLH1GLP1RNOD1
SCHEMBL12964820 0.84 NOD1 (0.52) ALBFOLH1GLP1RNOD1
SCHEMBL17040363 0.81 ALB (0.52) ALBFOLH1SMN1; SMN2GLP1RNOD1
SCHEMBL29322234 0.80 GLP1R (0.52) ALBFOLH1GLP1RNOD1
SCHEMBL20122043 0.80 ALB (0.58) ALBFOLH1SMN1; SMN2GLP1RNOD1
SCHEMBL18375484 0.78 ALB (0.56) ALBFOLH1SMN1; SMN2GLP1RNOD1
SCHEMBL12964947 0.77 ALB (0.55) ALBFOLH1SMN1; SMN2GLP1RNOD1
SCHEMBL12964929 0.77 NOD1 (0.44) ALBFOLH1GLP1RNOD1

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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