SCHEMBL16615902

SCHEMBL16615902

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.42
MMP9 P14780 5/20 0.42
ADAM17 P78536 3/20 0.42
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
SIRT2 Q8IXJ6 6/20 0.36
SIRT1 Q96EB6 6/20 0.36
SIRT3 Q9NTG7 6/20 0.36
MMP3 P08254 4/20 0.36
SRC P12931 1/20 0.36
MMP2 P08253 3/20 0.35
MMP8 P22894 3/20 0.35
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
NPY4R P50391 1/20 0.34
SIRT5 Q9NXA8 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
SCHEMBL16615895 0.93 MMP1 (0.40) MMP1MMP9ADAM17POLBL3MBTL1
SCHEMBL16615907 0.88 MMP1 (0.41) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615920 0.81 MMP1 (0.38) MMP1MMP9ADAM17POLBL3MBTL1
SCHEMBL16615761 0.81 MMP1 (0.41) MMP1MMP9ADAM17POLBL3MBTL1
SCHEMBL16615916 0.79 MMP9 (0.43) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615897 0.78 MMP1 (0.37) MMP1MMP9ADAM17POLBL3MBTL1
SCHEMBL16615892 0.77 MMP1 (0.41) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615914 0.77 KEAP1 (0.39) MMP1MMP9ADAM17SIRT2SIRT1
SCHEMBL16615894 0.77 POLB (0.46) MMP1MMP9ADAM17POLBL3MBTL1
SCHEMBL16615763 0.76 MMP1 (0.36) MMP1MMP9ADAM17MMP3MMP2

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