SCHEMBL6844559

SCHEMBL6844559

Cc1cn(CC(=O)N(NCCC(=O)O)C(=O)OC(C)(C)C)c(=O)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.37
TK2 O00142 3/20 0.36

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
SCHEMBL6464531 0.76 TK1 (0.38) TK1HPGDTK2
SCHEMBL5360321 0.74 TK1 (0.38) TK1MAPK1HPGDTK2
SCHEMBL5158820 0.73 TK1 (0.37) TK1HPGDTK2
SCHEMBL18648941 0.73 TK1 (0.52) TK1MAPK1HPGDTK2
SCHEMBL6837910 0.71 TK1 (0.39) TK1MAPK1HPGDTK2
SCHEMBL7761597 0.71 HPGD (0.41) TK1MAPK1HPGD
SCHEMBL456749 0.71 HPGD (0.57) TK1MAPK1HPGDTK2
SCHEMBL5366622 0.71 TK1 (0.38) TK1MAPK1HPGDTK2
SCHEMBL16260046 0.70 TYMP (0.46) TK1MAPK1HPGDTK2
SCHEMBL8444389 0.70 TK2 (0.36) TK1MAPK1HPGDTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004044137-A2 MODIFIED OLIGOMERIC COMPOUNDS AND COMPOSITIONS FOR USE IN GENE MODULATION ISIS PHARMACEUTICALS, INC. (US) 2004-05-27 WO disclosed