SCHEMBL8780256

SCHEMBL8780256

CCOC(=O)C[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TK1 P04183 7/20 0.56
ABCG2 Q9UNQ0 3/20 0.52
ABCB1 P08183 1/20 0.52

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
SCHEMBL8780252 1.00 TK1 (0.56) TK1ABCG2ABCB1
SCHEMBL8424567 0.91 TK1 (0.55) TK1ABCG2ABCB1
SCHEMBL8424564 0.91 TK1 (0.55) TK1ABCG2ABCB1
SCHEMBL9514240 0.87 TK1 (0.55) TK1
SCHEMBL9514246 0.87 TK1 (0.55) TK1
3-Amino- 3-Deoxythymidine SCHEMBL1415407 0.83 TK1 (0.68) TK1
3-Amino- 3-Deoxythymidine SCHEMBL1415408 0.83 TK1 (0.68) TK1
3-Amino- 3-Deoxythymidine SCHEMBL13394196 0.83 TK1 (0.68) TK1
3-Amino- 3-Deoxythymidine SCHEMBL20099120 0.83 TK1 (0.68) TK1
3-Amino- 3-Deoxythymidine SCHEMBL17011263 0.83 TK1 (0.68) TK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691977-B1 OLIGONUCLEOTIDES WITH AMIDE LINKAGES REPLACING PHOSPHODIESTER LINKAGES SANOFI SA (FR) 1997-11-26 EP disclosed
EP-0691977-A1 OLIGONUCLEOTIDES WITH AMIDE LINKAGES REPLACING PHOSPHODIESTER LINKAGES SANOFI (FR) 1996-01-17 EP disclosed
WO-1994022891-A1 OLIGONUCLEOTIDES WITH AMIDE LINKAGES REPLACING PHOSPHODIESTER LINKAGES STERLING WINTHROP INC. (US) 1994-10-13 WO disclosed