SCHEMBL13385673

SCHEMBL13385673

CCCCCC(=O)N[C@@H](CCC(=O)C(C)C)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 11/20 0.72
▸ SLC6A5 Q9Y345 2/20 0.54
▸ FAAH O00519 4/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PLA2G10 O15496 2/20 0.48
▸ PLA2G2C Q5R387 1/20 0.48

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
SCHEMBL21389127 0.98 NOD1 (0.75) NOD1SLC6A5FAAHMEN1MAPK1
SCHEMBL17341783 0.98 NOD1 (0.75) NOD1SLC6A5FAAHMEN1MAPK1
SCHEMBL19704935 0.92 NOD1 (0.64) NOD1SLC6A5FAAHMEN1MAPK1
SCHEMBL16715886 0.88 NOD1 (0.59) NOD1SLC6A5PLA2G10PLA2G2C
SCHEMBL16661378 0.88 NOD1 (0.59) NOD1SLC6A5PLA2G10PLA2G2C
SCHEMBL16715888 0.88 NOD1 (0.59) NOD1SLC6A5PLA2G10PLA2G2C
SCHEMBL20661418 0.87 NOD1 (0.58) NOD1SLC6A5FAAHMEN1MAPK1
SCHEMBL21937004 0.86 NOD1 (0.61) NOD1SLC6A5PLA2G10
SCHEMBL21937167 0.86 NOD1 (0.61) NOD1SLC6A5PLA2G10
SCHEMBL21937168 0.86 NOD1 (0.61) NOD1SLC6A5PLA2G10

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
US-7700577-B2 Carbohydrate based anti-bacterials ALCHEMIA LIMITED (AU) 2010-04-20 — — US disclosed
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