SCHEMBL5801268

SCHEMBL5801268

N#CC(C#N)C(N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.43
SLC1A2 P43004 6/20 0.43
SLC1A3 P43003 5/20 0.43
SLC1A1 P43005 5/20 0.43
USP2 O75604 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
PTGS1 P23219 1/20 0.31
SLC7A11 Q9UPY5 1/20 0.31

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
SCHEMBL23139354 0.85 SLC1A2 (0.38) SLC7A5SLC1A2SLC1A3SLC1A1USP2
SCHEMBL23139494 0.85 SLC1A2 (0.38) SLC7A5SLC1A2SLC1A3SLC1A1USP2
SCHEMBL3924462 0.78
SCHEMBL4103422 0.76
SCHEMBL5286648 0.76 SLC1A2 (0.42) SLC7A5SLC1A2SLC1A3SLC1A1USP2
SCHEMBL2833227 0.74
SCHEMBL468084 0.71 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A3SLC1A1USP2
SCHEMBL1007447 0.71 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A3SLC1A1USP2
SCHEMBL600021 0.71 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A3SLC1A1USP2
SCHEMBL29957453 0.71 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A3SLC1A1USP2

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
US-20060135374-A1 Indicating lubricant additive TECHNOLOGY INNOVATIONS, LLC 2006-06-22 US claimed
WO-2006065695-A2 INDICATING LUBRICANT ADDITIVE TECHNOLOGY INNOVATIONS, LLC (US) 2006-06-22 WO claimed