SCHEMBL16615899

SCHEMBL16615899

CC(O)[C@H]1C(=O)NC(CO)C(=O)N[C@H](C(N)=O)CCCCNC(=O)CC[C@H](NC(=O)[C@@H](N)CO)C(=O)N1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.39
SIRT1 Q96EB6 4/20 0.39
SIRT3 Q9NTG7 4/20 0.39
OPRM1 P35372 3/20 0.39
OPRD1 P41143 3/20 0.39
OPRK1 P41145 2/20 0.39
KEAP1 Q14145 2/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
ADAM17 P78536 1/20 0.38
MC1R Q01726 1/20 0.36
MC4R P32245 1/20 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
SCHEMBL16615898 0.91 MMP1 (0.39) SIRT2SIRT1SIRT3KEAP1MMP1
SCHEMBL16615604 0.88 SIRT2 (0.40) SIRT2SIRT1SIRT3KEAP1MMP1
SCHEMBL16615867 0.85 SIRT2 (0.41) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL16615868 0.84 MC1R (0.45) OPRM1OPRD1OPRK1MMP1MMP9
SCHEMBL16615764 0.83 MC1R (0.46) OPRM1OPRD1OPRK1MMP1MMP9
SCHEMBL16615743 0.83 TERF2 (0.42) OPRM1OPRD1OPRK1MC1R
SCHEMBL16615888 0.79 MC1R (0.38) OPRM1OPRD1OPRK1MC1R
SCHEMBL16615885 0.78 SSTR1 (0.37) OPRM1OPRD1OPRK1MC1R
SCHEMBL16615913 0.77 MMP9 (0.42) SIRT2SIRT1SIRT3KEAP1MMP1
SCHEMBL16615750 0.77 SRC (0.47) OPRM1OPRD1OPRK1MMP1MMP9

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