SCHEMBL16615892

SCHEMBL16615892

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.41
MMP9 P14780 4/20 0.41
ADAM17 P78536 2/20 0.41
SIRT2 Q8IXJ6 8/20 0.37
SIRT1 Q96EB6 8/20 0.37
SIRT3 Q9NTG7 8/20 0.37
MMP3 P08254 3/20 0.36
UBE2N P61088 1/20 0.34
MMP2 P08253 2/20 0.33
MMP8 P22894 2/20 0.33
SSTR1 P30872 2/20 0.33
SSTR4 P31391 2/20 0.33
SIRT7 Q9NRC8 3/20 0.33
SIRT5 Q9NXA8 3/20 0.33
SIRT6 Q8N6T7 2/20 0.33
KEAP1 Q14145 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 0.93 MMP1 (0.40) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615907 0.89 MMP1 (0.41) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615867 0.88 SIRT2 (0.41) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615605 0.83 MMP1 (0.38) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615913 0.82 MMP9 (0.42) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615916 0.81 MMP9 (0.43) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615914 0.77 KEAP1 (0.39) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615902 0.77 MMP1 (0.42) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615897 0.74 MMP1 (0.37) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615899 0.73 SIRT2 (0.39) MMP1MMP9ADAM17SIRT2SIRT1

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