SCHEMBL16615913

SCHEMBL16615913

CN[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CO)N(N)C(=O)[C@H](C(C)O)N(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 7/20 0.42
MMP1 P03956 5/20 0.42
ADAM17 P78536 3/20 0.42
MMP3 P08254 4/20 0.39
SIRT2 Q8IXJ6 7/20 0.37
SIRT1 Q96EB6 7/20 0.37
SIRT3 Q9NTG7 7/20 0.37
KEAP1 Q14145 2/20 0.35
MMP2 P08253 3/20 0.34
MMP8 P22894 3/20 0.34
SIRT7 Q9NRC8 3/20 0.32
SIRT5 Q9NXA8 2/20 0.32
SIRT6 Q8N6T7 2/20 0.32
UBE2N P61088 1/20 0.32

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
SCHEMBL16615760 0.89 MMP1 (0.40) MMP9MMP1ADAM17MMP3SIRT2
SCHEMBL16615916 0.84 MMP9 (0.43) MMP9MMP1ADAM17MMP3SIRT2
SCHEMBL16615892 0.82 MMP1 (0.41) MMP9MMP1ADAM17MMP3SIRT2
SCHEMBL16615622 0.80 MMP1 (0.41) MMP9MMP1ADAM17MMP3SIRT2
SCHEMBL16615898 0.77 MMP1 (0.39) MMP9MMP1ADAM17MMP3SIRT2
SCHEMBL16615604 0.77 SIRT2 (0.40) MMP9MMP1ADAM17SIRT2SIRT1
SCHEMBL16615899 0.77 SIRT2 (0.39) MMP9MMP1ADAM17SIRT2SIRT1
SCHEMBL16615907 0.76 MMP1 (0.41) MMP9MMP1ADAM17MMP3SIRT2
SCHEMBL16615867 0.76 SIRT2 (0.41) MMP9MMP1ADAM17MMP3SIRT2
SCHEMBL16615914 0.76 KEAP1 (0.39) MMP9MMP1ADAM17MMP3SIRT2

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-2015044900-A1 THERAPEUTIC IMMUNOMODULATING COMPOUNDS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-04-02 WO disclosed