SCHEMBL15412971

SCHEMBL15412971

COC(=O)C(CSC(=O)[C@H](Cc1cnc[nH]1)NCCCN)NC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC15A2 Q16348 1/20 0.42
▸ REN P00797 1/20 0.41
▸ CPB2 Q96IY4 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTR1D P28221 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HTR1E P28566 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ QPCT Q16769 1/20 0.37
▸ QPCTL Q9NXS2 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ ITGB2 P05107 2/20 0.37
▸ ICAM1 P05362 2/20 0.37
▸ ITGAL P20701 2/20 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
SCHEMBL15412967 1.00 SLC15A2 (0.42) SLC15A2RENCPB2ALDH1A1CYP1A2
SCHEMBL15413362 0.90 SLC15A2 (0.50) SLC15A2RENCPB2ALDH1A1CYP1A2
SCHEMBL15412746 0.90 REN (0.49) SLC15A2RENCPB2ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL15413309 0.89 REN (0.48) SLC15A2RENCPB2ALDH1A1CYP1A2
SCHEMBL15426894 0.88 SLC15A2 (0.46) SLC15A2RENCPB2CYP3A4CYP2C19
SCHEMBL16819849 0.88 SLC15A2 (0.46) SLC15A2RENCPB2CYP3A4CYP2C19
SCHEMBL15413285 0.87 SLC15A2 (0.52) SLC15A2RENCPB2ALDH1A1CYP1A2
SCHEMBL16819880 0.86 SLC15A2 (0.44) SLC15A2RENCPB2CYP3A4CYP2C19
SCHEMBL15426879 0.86 SLC15A2 (0.44) SLC15A2RENCPB2CYP3A4CYP2C19
SCHEMBL16819881 0.86 SLC15A2 (0.44) SLC15A2RENCPB2CYP3A4CYP2C19

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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