SCHEMBL8723732

SCHEMBL8723732

COc1ccc([N+](=O)[O-])c(CCOC(=O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)CC2O)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.48
POLB P06746 1/20 0.46
TK1 P04183 1/20 0.45

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
SCHEMBL7643986 1.00 TYMS (0.48) TYMSPOLBTK1
SCHEMBL8722072 0.90 POLB (0.47) TYMSPOLBTK1
SCHEMBL7647587 0.90 POLB (0.47) TYMSPOLBTK1
SCHEMBL8719115 0.90 TK1 (0.51) TYMSPOLBTK1
SCHEMBL7644907 0.90 TK1 (0.51) TYMSPOLBTK1
SCHEMBL7643989 0.87 P2RY6 (0.40)
SCHEMBL7643477 0.87 POLB (0.47) POLB
SCHEMBL8718699 0.87 POLB (0.47) POLB
SCHEMBL13041059 0.87 TYMS (0.49) TYMSPOLBTK1
SCHEMBL7644420 0.86 BCHE (0.50) TYMSPOLBTK1

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
US-5763599-A FOR LIGHT-CONTROLLED SYNTHESIS OF OLIGONUCLEOTIDES ON DNA CHIP Pfleiderer, Wolfgang (DE) 1998-06-09 US disclosed