SCHEMBL16615905

SCHEMBL16615905

CN[C@@H](CO)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC[C@H](C(C)O)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 7/20 0.38
SIRT1 Q96EB6 7/20 0.38
SIRT3 Q9NTG7 7/20 0.38
MMP1 P03956 4/20 0.38
MMP9 P14780 4/20 0.38
ADAM17 P78536 1/20 0.38
KEAP1 Q14145 4/20 0.37
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
MMP2 P08253 3/20 0.36
MMP3 P08254 3/20 0.36
MMP8 P22894 3/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 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
SCHEMBL16615896 0.83 MMP1 (0.41) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615623 0.83 SIRT2 (0.42) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615898 0.82 MMP1 (0.39) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615761 0.79 MMP1 (0.41) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615594 0.78 MC1R (0.46) MMP1MMP9KDM1ARCOR1MMP2
SCHEMBL16615855 0.77 MC1R (0.43) MMP1MMP9KDM1ARCOR1MMP2
SCHEMBL16615904 0.74 SRC (0.48) MMP1MMP9KDM1ARCOR1MMP2
SCHEMBL16615622 0.73 MMP1 (0.41) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615899 0.73 SIRT2 (0.39) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615873 0.72 KEAP1 (0.42) SIRT2SIRT1SIRT3MMP1MMP9

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