SCHEMBL16615873

SCHEMBL16615873

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.42
SIRT2 Q8IXJ6 5/20 0.41
SIRT1 Q96EB6 5/20 0.41
SIRT3 Q9NTG7 5/20 0.41
UBE2N P61088 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
ADAM17 P78536 1/20 0.39
MAPT P10636 1/20 0.38
SIRT5 Q9NXA8 4/20 0.37
SIRT7 Q9NRC8 2/20 0.37
SIRT6 Q8N6T7 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL16615604 0.87 SIRT2 (0.40) KEAP1SIRT2SIRT1SIRT3SMN1; SMN2
SCHEMBL16615914 0.86 KEAP1 (0.39) KEAP1SIRT2SIRT1SIRT3UBE2N
SCHEMBL16615859 0.82 SRC (0.48) MMP1MMP9
SCHEMBL16615894 0.79 POLB (0.46) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615899 0.76 SIRT2 (0.39) KEAP1SIRT2SIRT1SIRT3MMP1
SCHEMBL16691482 0.75 POLB (0.44) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16691453 0.74 SRC (0.48) MMP1MMP9
SCHEMBL16691481 0.73 SRC (0.43) SIRT2SIRT1SIRT3SIRT5
SCHEMBL16615916 0.73 MMP9 (0.43) KEAP1SIRT2SIRT1SIRT3UBE2N
SCHEMBL16615901 0.73 BRAF (0.37) KEAP1SIRT2SIRT1SIRT3UBE2N

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