SCHEMBL13890834

SCHEMBL13890834

CN[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38
TLR2 O60603 1/20 0.38
ECE1 P42892 3/20 0.38
MMP1 P03956 2/20 0.37
MMP3 P08254 2/20 0.37
FOLH1 Q04609 1/20 0.37
GNPAT O15228 1/20 0.36
SIRT5 Q9NXA8 1/20 0.35
FURIN P09958 5/20 0.35
MMP9 P14780 1/20 0.35
PCSK6 P29122 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CPB2 Q96IY4 1/20 0.34

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
SCHEMBL15698289 0.90 TLR2 (0.38) SIRT6SIRT1NMT2NMT1TLR2
SCHEMBL13798774 0.89 SIRT6 (0.46) SIRT6SIRT1NMT2NMT1TLR2
SCHEMBL13668922 0.89 SIRT6 (0.46) SIRT6SIRT1NMT2NMT1TLR2
SCHEMBL17087723 0.88 SIRT6 (0.48) SIRT6SIRT1NMT2NMT1TLR2
SCHEMBL14942513 0.88 SIRT6 (0.48) SIRT6SIRT1NMT2NMT1TLR2
SCHEMBL15905754 0.88 SIRT6 (0.48) SIRT6SIRT1NMT2NMT1TLR2
SCHEMBL14426180 0.81 TLR2 (0.46) SIRT6SIRT1NMT2NMT1TLR2
SCHEMBL22519362 0.81 TLR2 (0.46) SIRT6SIRT1NMT2NMT1TLR2
SCHEMBL14553986 0.81 BMP1 (0.40) SIRT6SIRT1NMT2NMT1TLR2
SCHEMBL14567065 0.81 FOLH1 (0.56) SIRT6SIRT1NMT2NMT1MMP1

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-2053125-A1 Streptococcus pyogenes antigens Intercell AG (AT) 2009-04-29 EP disclosed