SCHEMBL16615898

SCHEMBL16615898

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.39
MMP9 P14780 5/20 0.39
ADAM17 P78536 2/20 0.39
SIRT2 Q8IXJ6 4/20 0.38
SIRT1 Q96EB6 4/20 0.38
SIRT3 Q9NTG7 4/20 0.38
KEAP1 Q14145 2/20 0.38
MC4R P32245 1/20 0.37
BIRC3 Q13489 1/20 0.37
MMP3 P08254 4/20 0.35
MMP2 P08253 3/20 0.35
MMP8 P22894 3/20 0.35
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
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
PLK1 P53350 1/20 0.35
PLK3 Q9H4B4 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 0.91 SIRT2 (0.39) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615604 0.85 SIRT2 (0.40) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615867 0.83 SIRT2 (0.41) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615917 0.83 TERF2 (0.41) MMP1MMP9MC4RBIRC3MMP3
SCHEMBL16615905 0.82 SIRT2 (0.38) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615868 0.79 MC1R (0.45) MMP1MMP9MMP3MMP2MMP8
SCHEMBL16615750 0.78 SRC (0.47) MMP1MMP9BIRC3MMP3MMP2
SCHEMBL16615913 0.77 MMP9 (0.42) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615764 0.77 MC1R (0.46) MMP1MMP9MMP3MMP2MMP8
SCHEMBL16615886 0.77 SRC (0.40) MMP1MMP9BIRC3MMP3MMP2

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