SCHEMBL8718682

SCHEMBL8718682

Cc1cn([C@H]2CC(O)[C@@H](COC(=O)OCCc3c(Cl)cccc3[N+](=O)[O-])O2)c(=O)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.47
POLB P06746 1/20 0.46
TK1 P04183 1/20 0.46

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
SCHEMBL13666500 1.00 BCHE (0.47) BCHEPOLBTK1
SCHEMBL7643467 1.00 BCHE (0.47) BCHEPOLBTK1
SCHEMBL8718687 0.95 BCHE (0.50) BCHEPOLBTK1
SCHEMBL7644420 0.95 BCHE (0.50) BCHEPOLBTK1
SCHEMBL7645962 0.91 RNASE1 (0.48) TK1
SCHEMBL7643981 0.91 BCHE (0.47) BCHEPOLBTK1
SCHEMBL8721564 0.91 BCHE (0.47) BCHEPOLBTK1
SCHEMBL7644534 0.91 BCHE (0.47) BCHEPOLBTK1
SCHEMBL8723705 0.91 BCHE (0.47) BCHEPOLBTK1
SCHEMBL8719350 0.90 POLB (0.47) POLB

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