SCHEMBL8719115

SCHEMBL8719115

Cc1cn([C@H]2CC(O)[C@@H](COC(=O)OCCc3ccccc3[N+](=O)[O-])O2)c(=O)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.51
POLB P06746 1/20 0.49
BCHE P06276 1/20 0.48
TYMS P04818 1/20 0.47

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
SCHEMBL7644907 1.00 TK1 (0.51) TK1POLBBCHETYMS
SCHEMBL8723691 0.93 POLB (0.50) POLBBCHETYMS
SCHEMBL7644585 0.93 POLB (0.50) POLBBCHETYMS
SCHEMBL8718687 0.92 BCHE (0.50) TK1POLBBCHETYMS
SCHEMBL7644420 0.92 BCHE (0.50) TK1POLBBCHETYMS
SCHEMBL7643986 0.90 TYMS (0.48) TK1POLBTYMS
SCHEMBL8723732 0.90 TYMS (0.48) TK1POLBTYMS
SCHEMBL7643477 0.89 POLB (0.47) POLB
SCHEMBL8718699 0.89 POLB (0.47) POLB
SCHEMBL7643981 0.89 BCHE (0.47) TK1POLBBCHETYMS

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