SCHEMBL16615894

SCHEMBL16615894

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
SIRT2 Q8IXJ6 6/20 0.44
SIRT1 Q96EB6 6/20 0.44
SIRT3 Q9NTG7 6/20 0.44
MMP1 P03956 4/20 0.43
MMP9 P14780 4/20 0.43
ADAM17 P78536 1/20 0.43
SRC P12931 1/20 0.42
MMP2 P08253 3/20 0.41
MMP3 P08254 3/20 0.41
MMP8 P22894 3/20 0.41
SIRT5 Q9NXA8 2/20 0.39
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
KLK7 P49862 1/20 0.38
SIRT6 Q8N6T7 2/20 0.38

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 0.88 MMP1 (0.41) POLBL3MBTL1TDP1SIRT2SIRT1
SCHEMBL16615893 0.88 MMP1 (0.39) POLBL3MBTL1TDP1SIRT2SIRT1
SCHEMBL16691482 0.87 POLB (0.44) POLBL3MBTL1TDP1SIRT2SIRT1
SCHEMBL16691453 0.86 SRC (0.48) POLBL3MBTL1TDP1MMP1MMP9
SCHEMBL16691481 0.85 SRC (0.43) POLBL3MBTL1TDP1SIRT2SIRT1
SCHEMBL16691478 0.84 SRC (0.51) POLBL3MBTL1TDP1MMP1MMP9
SCHEMBL16691497 0.83 SRC (0.56) POLBL3MBTL1TDP1SRCKLK7
SCHEMBL16691466 0.83 SRC (0.47) POLBL3MBTL1TDP1SIRT2SIRT1
SCHEMBL16615904 0.83 SRC (0.48) POLBL3MBTL1TDP1MMP1MMP9
SCHEMBL16691494 0.82 SRC (0.49) POLBL3MBTL1TDP1MMP1MMP9

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