SCHEMBL15413175

SCHEMBL15413175

NCCCN[C@@H](Cc1cnc[nH]1)C(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC15A2 Q16348 1/20 0.47
▸ PTGS1 P23219 1/20 0.44
▸ GSTK1 Q9Y2Q3 1/20 0.44
▸ SLC6A5 Q9Y345 1/20 0.41
▸ CPB2 Q96IY4 1/20 0.41
▸ GLO1 Q04760 4/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ SLC7A5 Q01650 1/20 0.40

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
SCHEMBL16819856 0.93 SLC15A2 (0.49) SLC15A2PTGS1GSTK1SLC6A5CPB2
SCHEMBL15426874 0.93 SLC15A2 (0.49) SLC15A2PTGS1GSTK1SLC6A5CPB2
SCHEMBL16819865 0.92 SLC15A2 (0.48) SLC15A2PTGS1GSTK1SLC6A5CPB2
SCHEMBL16819863 0.92 SLC15A2 (0.48) SLC15A2PTGS1GSTK1SLC6A5CPB2
SCHEMBL15414091 0.91 SLC15A2 (0.52) SLC15A2SLC6A5CPB2EPHX2CYP3A4
SCHEMBL15412921 0.88 SLC15A2 (0.54) SLC15A2SLC6A5CPB2EPHX2CYP3A4
SCHEMBL15413155 0.87 PTGS1 (0.44) SLC15A2PTGS1GSTK1SLC6A5GLO1
SCHEMBL15412687 0.84 EPHX2 (0.45) SLC15A2SLC6A5CPB2EPHX2CYP3A4
SCHEMBL15426898 0.83 SLC15A2 (0.55) SLC15A2SLC6A5CPB2EPHX2CYP3A4
SCHEMBL16819851 0.83 SLC15A2 (0.55) SLC15A2SLC6A5CPB2EPHX2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872525-A2 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE XPD Holdings LLC (US) 2015-05-20 — — EP claimed
WO-2014011624-A2 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE XPD HOLDINGS LLC (US) 2014-01-16 — — WO claimed
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