SCHEMBL4786342

SCHEMBL4786342

CC(=O)OCC1CCC(n2cc(I)c(=O)[nH]c2=O)O1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.49
BCHE P06276 3/20 0.43
P2RY6 Q15077 4/20 0.42
P2RY14 Q15391 3/20 0.42
PYGM P11217 1/20 0.42
ABCG2 Q9UNQ0 3/20 0.39
ABCB1 P08183 1/20 0.39

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
SCHEMBL12969489 0.89 BCHE (0.52) TK1BCHEABCG2ABCB1
SCHEMBL9819384 0.89 BCHE (0.52) TK1BCHEABCG2ABCB1
SCHEMBL13948027 0.89 BCHE (0.52) TK1BCHEABCG2ABCB1
SCHEMBL4438991 0.88 TK1 (0.47) TK1BCHEP2RY6P2RY14PYGM
SCHEMBL4438998 0.88 TK1 (0.47) TK1BCHEP2RY6P2RY14PYGM
SCHEMBL19174678 0.83 TK1 (0.48) TK1BCHEP2RY6P2RY14PYGM
SCHEMBL13968218 0.83 TK1 (0.46) TK1BCHEP2RY6P2RY14PYGM
SCHEMBL5898590 0.83 TK1 (0.62) TK1PYGM
SCHEMBL2043148 0.83 TK1 (0.62) TK1PYGM
SCHEMBL14231186 0.83 TK1 (0.62) TK1PYGM

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-2008082440-A2 FLUORESCENT NUCLEOSIDE ANALOGUES EMORY UNIVERSITY (US) 2008-07-10 WO disclosed