Isoleucine

Isoleucine

SCHEMBL5259001

CC[C@H](C)[C@H](N)C(=O)O.CN(C)CC(=O)O.N[C@@H](CS)C(=O)O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
SLC7A11 Q9UPY5 1/20 0.47
BHMT Q93088 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
ENPEP Q07075 2/20 0.33
SLC7A5 Q01650 2/20 0.33
DPP4 P27487 5/20 0.33
DPP8 Q6V1X1 3/20 0.33
DPP9 Q86TI2 3/20 0.33
DPP7 Q9UHL4 1/20 0.32

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
Isoleucine SCHEMBL5262337 0.96 PTGS1 (0.43) PTGS1SLC7A11BHMTSLC1A3SLC1A2
Isoleucine SCHEMBL6809072 0.87 PTGS1 (0.61) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Isoleucine SCHEMBL10610194 0.87 PTGS1 (0.61) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Isoleucine SCHEMBL10610189 0.87 PTGS1 (0.61) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Isoleucine SCHEMBL3374935 0.81 PTGS1 (0.53) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Leucine SCHEMBL2973802 0.80 SLC7A5 (0.58) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Leucine SCHEMBL2973800 0.80 SLC7A5 (0.58) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Serine SCHEMBL4887749 0.80 PTGS1 (0.55) PTGS1SLC7A11BHMTSLC1A3SLC1A2
Isoleucine SCHEMBL3371099 0.79 PTGS1 (0.47) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Isoleucine SCHEMBL26918680 0.79 PTGS1 (0.50) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047708-B1 PEPTIDE CHELATORS THAT PREDOMINATELY FORM A SINGLE STEREOISOMERIC SPECIES UPON COORDINATION TO A METAL CENTER BRACCO INT BV (NL) 2007-09-26 EP disclosed
US-6334996-B1 RADIOLABELS FOR TARGETING SPECIFIC DIAGNOSTIC PHARMACEUTICALS RESOLUTION PHARMACEUTICALS INC. (CA) 2002-01-01 US disclosed
EP-1047708-A1 PEPTIDE CHELATORS THAT PREDOMINATELY FORM A SINGLE STEREOISOMERIC SPECIES UPON COORDINATION TO A METAL CENTER RESOLUTION PHARMACEUTICALS INC. (CA) 2000-11-02 EP disclosed
WO-1999033863-A1 PEPTIDE CHELATORS THAT PREDOMINATELY FORM A SINGLE STEREOISOMERIC SPECIES UPON COORDINATION TO A METAL CENTER RESOLUTION PHARMACEUTICALS INC. (CA) 1999-07-08 WO disclosed