SCHEMBL6830773

SCHEMBL6830773

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TK1 P04183 7/20 0.35
TK2 O00142 6/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6830774 0.82 TYMP (0.42) TK1TK2
SCHEMBL6830788 0.81 TK1 (0.32) TK1
SCHEMBL8932073 0.80 TK1 (0.34) TK1TK2
SCHEMBL8932104 0.77 MGAT2 (0.32) TK1ALDH1A1
SCHEMBL7535867 0.76 TK1 (0.52) TK1
SCHEMBL9564565 0.76 TK1 (0.52) TK1
SCHEMBL60737 0.76 TK1 (0.52) TK1
SCHEMBL8932016 0.75 TK2 (0.32) TK1TK2
SCHEMBL6830790 0.75 TK1 (0.32) TK1
SCHEMBL2112758 0.74 TYMP (0.40) TK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743902-B1 FOR USE IN ANTISENSE THERAPY FOR ENHANCING NUCLEASE RESISTANCE AND CELLULAR UPTAKE VALEANT PHARMACEUTICALS INTERNATIONAL 2004-06-01 US disclosed
US-6191266-B1 MODIFIED TO COMPRISE SUBSTITUTIONS AT POSITIONS C1', C3', C4' OR C5' OF THE SUGAR MOIETY OF THE NUCLEOSIDE, INCLUDING AN OPTIONAL 3' PHOSPHOROAMIDITE GROUP; USE IN MAKING NUCLEASE RESISTANT OLIGONUCLEOTIDES FOR ANTISENSE THERAPY ICN PHARMACEUTICALS, INC. 2001-02-20 US disclosed
EP-0789706-A4 SUGAR MODIFIED NUCLEOSIDES AND THEIR USE FOR SYNTHESIS OF OLIGONUCLEOTIDES ICN PHARMACEUTICALS (US) 1999-08-11 EP disclosed
US-5712378-A SUGAR MOLECULE IS SUBSTITUTED WITH HYDROCARBON OR SUBSTITUTED HYDROCARBON GROUPS, ANTISENSE AGENTS ICN PHARMACEUTICALS (US) 1998-01-27 US disclosed
US-5681940-A CONTAIN TETRAHYDROTHIOPHENE OR PYROLIDINE RINGS ICN PHARMACEUTICALS (US) 1997-10-28 US disclosed
EP-0789706-A1 SUGAR MODIFIED NUCLEOSIDES AND THEIR USE FOR SYNTHESIS OF OLIGONUCLEOTIDES ICN PHARMACEUTICALS (US) 1997-08-20 EP disclosed
WO-1996014329-A1 SUGAR MODIFIED NUCLEOSIDES AND THEIR USE FOR SYNTHESIS OF OLIGONUCLEOTIDES ICN PHARMACEUTICALS (US) 1996-05-17 WO disclosed