SCHEMBL16615623

SCHEMBL16615623

CC(O)[C@H]1CN[C@@H](CO)C(=O)N[C@H](C(N)=O)CCCCNC(=O)CC[C@H](N)C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.42
SIRT1 Q96EB6 6/20 0.42
SIRT3 Q9NTG7 6/20 0.42
MMP1 P03956 3/20 0.40
MMP9 P14780 3/20 0.40
ADAM17 P78536 1/20 0.40
BRAF P15056 1/20 0.38
MMP2 P08253 2/20 0.38
MMP3 P08254 2/20 0.38
MMP8 P22894 2/20 0.38
UBE2N P61088 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
MC4R P32245 1/20 0.37
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
SIRT5 Q9NXA8 4/20 0.36
SIRT7 Q9NRC8 3/20 0.36

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
SCHEMBL16615761 0.88 MMP1 (0.41) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615905 0.83 SIRT2 (0.38) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615867 0.79 SIRT2 (0.41) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615896 0.78 MMP1 (0.41) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615907 0.78 MMP1 (0.41) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615901 0.75 BRAF (0.37) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615892 0.73 MMP1 (0.41) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615605 0.72 MMP1 (0.38) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615760 0.72 MMP1 (0.40) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615622 0.71 MMP1 (0.41) SIRT2SIRT1SIRT3MMP1MMP9

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