SCHEMBL4588481

SCHEMBL4588481

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.68
SLC1A3 P43003 3/20 0.44
SLC1A2 P43004 3/20 0.44
SLC1A1 P43005 2/20 0.44
TP53 P04637 1/20 0.40
USP2 O75604 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
GABRP O00591 4/20 0.35
GABRD O14764 4/20 0.35
GABRA1 P14867 4/20 0.35
GABRB1 P18505 4/20 0.35
GABRG2 P18507 4/20 0.35
GABRB3 P28472 4/20 0.35
GABRA5 P31644 4/20 0.35
GABRA3 P34903 4/20 0.35
GABRA2 P47869 4/20 0.35
GABRB2 P47870 4/20 0.35
GABRA4 P48169 4/20 0.35
GABRE P78334 4/20 0.35
GABRA6 Q16445 4/20 0.35

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
SCHEMBL196696 1.00 SLC7A5 (0.68) SLC7A5SLC1A3SLC1A2SLC1A1TP53
SCHEMBL197140 1.00 SLC7A5 (0.68) SLC7A5SLC1A3SLC1A2SLC1A1TP53
SCHEMBL3081722 1.00 SLC7A5 (0.68) SLC7A5SLC1A3SLC1A2SLC1A1TP53
SCHEMBL5966382 1.00 SLC7A5 (0.68) SLC7A5SLC1A3SLC1A2SLC1A1TP53
SCHEMBL18927234 0.92 SLC7A5 (0.65) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL5065202 0.85
SCHEMBL13502414 0.82 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL1813972 0.81 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL43678 0.81
Valine SCHEMBL8516 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114390929-A Compositions and methods for treating respiratory syncytial virus 奇达拉治疗公司 2022-04-22 CN disclosed
EP-1737884-A4 ALPHA HELICAL MIMICS, THEIR USES AND METHODS FOR THEIR PRODUCTION UNIV QUEENSLAND (AU) 2008-10-29 EP disclosed
EP-1737884-A1 ALPHA HELICAL MIMICS, THEIR USES AND METHODS FOR THEIR PRODUCTION The University of Queensland (AU) 2007-01-03 EP disclosed
EP-1499343-A4 A METHOD OF MODULATING CELLULAR ACTIVITY MEDVET SCIENCE PTY LTD (AU) 2005-12-28 EP disclosed
WO-2005090388-A1 ALPHA HELICAL MIMICS, THEIR USES AND METHODS FOR THEIR PRODUCTION THE UNIVERSITY OF QUEENSLAND (AU) 2005-09-29 WO disclosed
EP-1499343-A1 A METHOD OF MODULATING CELLULAR ACTIVITY MEDVET SCIENCE PTY. LTD. (AU) 2005-01-26 EP disclosed
WO-2003082322-A1 A METHOD OF MODULATING CELLULAR ACTIVITY MEDVET SCIENCE PTY. LTD. (AU) 2003-10-09 WO disclosed