SCHEMBL6948925

SCHEMBL6948925

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.52
SLC1A3 P43003 4/20 0.42
SLC1A2 P43004 4/20 0.42
SLC1A1 P43005 3/20 0.36
LAP3 P28838 6/20 0.35
RNPEP Q9H4A4 4/20 0.34
ANPEP P15144 4/20 0.34
DNPEP Q9ULA0 2/20 0.34
LARS1 Q9P2J5 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
SCHEMBL8585917 0.88 SLC7A5 (0.53) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL4889896 0.80 SLC7A5 (0.57) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL996374 0.80 SLC7A5 (0.57) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL10588085 0.75 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL15173245 0.75 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL3066899 0.75 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL15173244 0.75 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL31129064 0.73 SLC7A5 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL1911122 0.73 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL4594704 0.73 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2SLC1A1LAP3

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-0956033-B1 TOTAL SYNTHESIS OF THE AMINO HIP ANALOGUE OF DIDEMNIN A UNIV ILLINOIS (US) 2003-07-23 EP disclosed
US-6380156-B1 HAVING ANTIVIRAL, ANTITUMOR, AND IMMUNOSUPPRESSIVE ACTIVITIES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLNOIS 2002-04-30 US disclosed
WO-1998017302-A9 TOTAL SYNTHESIS OF THE AMINO HIP ANALOGUE OF DIDEMNIN A 1998-10-15 WO disclosed