SCHEMBL16615604

SCHEMBL16615604

CC(O)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)CCCCNC(=O)CC[C@H](NC[C@@H](N)CO)C(=O)N1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 9/20 0.40
SIRT1 Q96EB6 9/20 0.40
SIRT3 Q9NTG7 9/20 0.40
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
ADAM17 P78536 1/20 0.38
KEAP1 Q14145 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
SIRT5 Q9NXA8 4/20 0.35
SIRT7 Q9NRC8 3/20 0.35
SIRT6 Q8N6T7 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL16615899 0.88 SIRT2 (0.39) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615873 0.87 KEAP1 (0.42) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615898 0.85 MMP1 (0.39) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615867 0.85 SIRT2 (0.41) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615914 0.82 KEAP1 (0.39) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615913 0.77 MMP9 (0.42) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615764 0.74 MC1R (0.46) MMP1MMP9
SCHEMBL16615892 0.73 MMP1 (0.41) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615868 0.73 MC1R (0.45) MMP1MMP9
SCHEMBL16615743 0.72 TERF2 (0.42)

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