SCHEMBL21242828

SCHEMBL21242828

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

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 9/20 0.65
▸ GNPAT O15228 1/20 0.50
▸ FOLH1 Q04609 3/20 0.49
▸ RIMKLA Q8IXN7 1/20 0.49
▸ NAALAD2 Q9Y3Q0 1/20 0.49
▸ SLC6A5 Q9Y345 1/20 0.46
▸ PLA2G2C Q5R387 1/20 0.45
▸ GART P22102 3/20 0.45

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
SCHEMBL19752290 1.00 NOD1 (0.65) NOD1GNPATFOLH1RIMKLANAALAD2
SCHEMBL14553069 1.00 NOD1 (0.65) NOD1GNPATFOLH1RIMKLANAALAD2
SCHEMBL12674214 1.00 NOD1 (0.65) NOD1GNPATFOLH1RIMKLANAALAD2
SCHEMBL23689917 1.00 NOD1 (0.65) NOD1GNPATFOLH1RIMKLANAALAD2
SCHEMBL18379212 1.00 NOD1 (0.65) NOD1GNPATFOLH1RIMKLANAALAD2
SCHEMBL24558577 1.00 NOD1 (0.65) NOD1GNPATFOLH1RIMKLANAALAD2
SCHEMBL21242888 1.00 NOD1 (0.65) NOD1GNPATFOLH1RIMKLANAALAD2
SCHEMBL23689916 1.00 NOD1 (0.65) NOD1GNPATFOLH1RIMKLANAALAD2
SCHEMBL21242878 1.00 NOD1 (0.65) NOD1GNPATFOLH1RIMKLANAALAD2
SCHEMBL12673962 1.00 NOD1 (0.65) NOD1GNPATFOLH1RIMKLANAALAD2

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-2758426-B1 NOVEL GLUCAGON ANALOGUES NOVO NORDISK AS (DK) 2019-08-07 — — EP disclosed
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