Isoleucine

Isoleucine

SCHEMBL5162371

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

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.41
SLC1A3 P43003 3/20 0.35
SLC1A2 P43004 3/20 0.35
SLC1A1 P43005 2/20 0.33
LAP3 P28838 2/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL16225150 0.85 SLC7A5 (0.53) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL1537446 0.82 SLC1A3 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1NOS3
SCHEMBL1537207 0.81 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2
SCHEMBL122272 0.81 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2
SCHEMBL8007493 0.80 SLC7A5 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
Leucine SCHEMBL4289275 0.80 SLC7A5 (0.45) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
Valine SCHEMBL16348666 0.80 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
Leucine SCHEMBL2551557 0.78 SLC7A5 (0.64) SLC7A5SLC1A3SLC1A2SLC1A1
Leucine SCHEMBL26598008 0.78 SLC7A5 (0.64) SLC7A5SLC1A3SLC1A2SLC1A1
Leucine SCHEMBL9721406 0.78 SLC7A5 (0.64) SLC7A5SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1199355-B1 SULFUR ATOM-FREE ENZYME PROTEINS NAT INST OF ADVANCED IND SCIEN (JP) 2007-03-14 EP disclosed
US-20070015241-A1 Sulfur atom-free enzyme protein IWAKURA MASAHIRO 2007-01-18 US disclosed
EP-1199355-A1 SULFUR ATOM-FREE ENZYME PROTEINS National Institute of Advanced Industrial Science and Technology (JP) 2002-04-24 EP disclosed