SCHEMBL6830774

SCHEMBL6830774

COc1ccc(C(OC[C@H]2O[C@@](C#N)(n3cc(C)c(=O)[nH]c3=O)CC2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.42
TK1 P04183 7/20 0.41
TK2 O00142 13/20 0.40

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
SCHEMBL30657784 0.87 TYMP (0.40) TYMPTK1TK2
SCHEMBL6830789 0.86 TK1 (0.38) TYMPTK1TK2
SCHEMBL6830773 0.82 TK1 (0.35) TK1TK2
SCHEMBL8932076 0.81 TYMP (0.39) TYMPTK1TK2
SCHEMBL9391394 0.79 TK1 (0.46) TK1TK2
SCHEMBL7153716 0.78 TYMP (0.42) TYMPTK1TK2
SCHEMBL9614228 0.77 TK2 (0.37) TYMPTK1TK2
SCHEMBL7899020 0.76 TK2 (0.41) TYMPTK1TK2
SCHEMBL8370048 0.76 RNASE1 (0.38) TK1TK2
SCHEMBL22984023 0.76 TYMS (0.56) TYMPTK1

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