SCHEMBL16615897

SCHEMBL16615897

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.37
MMP9 P14780 5/20 0.37
ADAM17 P78536 3/20 0.37
MMP3 P08254 4/20 0.33
SIRT2 Q8IXJ6 6/20 0.33
SIRT1 Q96EB6 6/20 0.33
SIRT3 Q9NTG7 6/20 0.33
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MMP2 P08253 3/20 0.31
MMP8 P22894 3/20 0.31
SRC P12931 1/20 0.31
KDM1A O60341 1/20 0.30
RCOR1 Q9UKL0 1/20 0.30

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
SCHEMBL16615605 0.88 MMP1 (0.38) MMP1MMP9ADAM17MMP3SIRT2
SCHEMBL16615920 0.87 MMP1 (0.38) MMP1MMP9ADAM17MMP3SIRT2
SCHEMBL16615893 0.81 MMP1 (0.39) MMP1MMP9ADAM17MMP3SIRT2
SCHEMBL16615902 0.78 MMP1 (0.42) MMP1MMP9ADAM17MMP3SIRT2
SCHEMBL16615867 0.77 SIRT2 (0.41) MMP1MMP9ADAM17MMP3SIRT2
SCHEMBL16615761 0.76 MMP1 (0.41) MMP1MMP9ADAM17MMP3SIRT2
SCHEMBL16615895 0.75 MMP1 (0.40) MMP1MMP9ADAM17MMP3SIRT2
SCHEMBL16615892 0.74 MMP1 (0.41) MMP1MMP9ADAM17MMP3SIRT2
SCHEMBL16615760 0.73 MMP1 (0.40) MMP1MMP9ADAM17MMP3SIRT2
SCHEMBL16615755 0.70 STAT3 (0.43) SRC

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