SCHEMBL4814982

SCHEMBL4814982

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C#CCCCNC(=O)C(F)(F)F)c(=O)[nH]c3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.44
TYMP P19971 1/20 0.41

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
SCHEMBL13283336 0.91 TYMS (0.41) TYMSTYMP
SCHEMBL13255802 0.91 TYMS (0.41) TYMSTYMP
SCHEMBL27333744 0.88 TYMS (0.47) TYMSTYMP
SCHEMBL17766320 0.88 TYMS (0.48) TYMSTYMP
SCHEMBL8166332 0.88 TYMS (0.47) TYMSTYMP
SCHEMBL8509831 0.87 TYMS (0.50) TYMSTYMP
SCHEMBL8654019 0.87 TYMS (0.50) TYMSTYMP
SCHEMBL8159110 0.86 TYMS (0.46) TYMSTYMP
SCHEMBL15226427 0.85 TYMS (0.51) TYMSTYMP
SCHEMBL13255833 0.85 TYMS (0.51) TYMSTYMP

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-2008120016-A1 MODIFIED NUCLEIC ACIDS UNIVERSITY OF SOUTHAMPTON (GB) 2008-10-09 WO disclosed