SCHEMBL15412921

SCHEMBL15412921

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC15A2 Q16348 1/20 0.54
▸ CPB2 Q96IY4 1/20 0.44
▸ SLC6A5 Q9Y345 1/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ SLC7A5 Q01650 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ NOD1 Q9Y239 1/20 0.43
▸ ITGB2 P05107 3/20 0.40
▸ ICAM1 P05362 3/20 0.40
▸ ITGAL P20701 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 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
SCHEMBL15414091 0.97 SLC15A2 (0.52) SLC15A2CPB2SLC6A5CYP3A4SLC7A5
SCHEMBL16819851 0.91 SLC15A2 (0.55) SLC15A2CPB2SLC6A5CYP3A4SLC7A5
SCHEMBL15426898 0.91 SLC15A2 (0.55) SLC15A2CPB2SLC6A5CYP3A4SLC7A5
SCHEMBL16819853 0.90 SLC15A2 (0.53) SLC15A2CPB2SLC6A5CYP3A4SLC7A5
SCHEMBL16819855 0.90 SLC15A2 (0.53) SLC15A2CPB2SLC6A5CYP3A4SLC7A5
SCHEMBL15412687 0.90 EPHX2 (0.45) SLC15A2CPB2SLC6A5CYP3A4SLC7A5
SCHEMBL15413175 0.88 SLC15A2 (0.47) SLC15A2CPB2SLC6A5CYP3A4SLC7A5
SCHEMBL15413212 0.87 CYP3A4 (0.53) SLC15A2CPB2CYP3A4SLC7A5ITGB2
SCHEMBL15413285 0.85 SLC15A2 (0.52) SLC15A2CPB2SLC6A5CYP3A4SLC7A5
SCHEMBL16819869 0.84 EPHX2 (0.45) SLC15A2CPB2SLC6A5CYP3A4SLC7A5

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
Send feedback