SCHEMBL16615893

SCHEMBL16615893

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.39
MMP9 P14780 5/20 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
MLLT3 P42568 1/20 0.35
MLLT1 Q03111 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KLK7 P49862 1/20 0.35
SRC P12931 1/20 0.34
MMP3 P08254 4/20 0.33
MMP2 P08253 3/20 0.33
MMP8 P22894 3/20 0.33
SIRT5 Q9NXA8 2/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33

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
SCHEMBL16615920 0.91 MMP1 (0.38) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615894 0.88 POLB (0.46) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615896 0.82 MMP1 (0.41) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615755 0.82 STAT3 (0.43) MLLT3MLLT1SRC
SCHEMBL16615897 0.81 MMP1 (0.37) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615752 0.81 SRC (0.40) MLLT3MLLT1SRC
SCHEMBL16691482 0.76 POLB (0.44) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615648 0.75 MMP9 (0.39) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16691453 0.74 SRC (0.48) MMP1MMP9MLLT3MLLT1POLB
SCHEMBL16615853 0.74 MLLT3 (0.35) MMP1MMP9MLLT3MLLT1KLK7

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