SCHEMBL16615914

SCHEMBL16615914

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 5/20 0.39
MMP1 P03956 3/20 0.39
MMP9 P14780 3/20 0.39
ADAM17 P78536 2/20 0.39
SIRT2 Q8IXJ6 6/20 0.36
SIRT1 Q96EB6 6/20 0.36
SIRT3 Q9NTG7 6/20 0.36
UBE2N P61088 1/20 0.34
MMP3 P08254 2/20 0.33
PLK1 P53350 1/20 0.33
SIRT7 Q9NRC8 3/20 0.33
SIRT6 Q8N6T7 2/20 0.33
SSTR1 P30872 2/20 0.32
SSTR4 P31391 2/20 0.32
MMP2 P08253 1/20 0.32
MMP8 P22894 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
SCHEMBL16615916 0.89 MMP9 (0.43) KEAP1MMP1MMP9ADAM17SIRT2
SCHEMBL16615873 0.86 KEAP1 (0.42) KEAP1MMP1MMP9ADAM17SIRT2
SCHEMBL16615907 0.84 MMP1 (0.41) KEAP1MMP1MMP9ADAM17SIRT2
SCHEMBL16615604 0.82 SIRT2 (0.40) KEAP1MMP1MMP9ADAM17SIRT2
SCHEMBL16615892 0.77 MMP1 (0.41) KEAP1MMP1MMP9ADAM17SIRT2
SCHEMBL16615902 0.77 MMP1 (0.42) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615913 0.76 MMP9 (0.42) KEAP1MMP1MMP9ADAM17SIRT2
SCHEMBL16615622 0.74 MMP1 (0.41) KEAP1MMP1MMP9ADAM17SIRT2
SCHEMBL16615760 0.73 MMP1 (0.40) KEAP1MMP1MMP9ADAM17SIRT2
SCHEMBL16615648 0.72 MMP9 (0.39) KEAP1MMP1MMP9ADAM17SIRT2

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