SCHEMBL6830770

SCHEMBL6830770

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

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK2 O00142 8/20 0.43
TK1 P04183 6/20 0.43
TYMP P19971 1/20 0.41
RNASE1 P07998 1/20 0.41

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
SCHEMBL6827415 0.91 TK2 (0.45) TK2TK1RNASE1
SCHEMBL6323179 0.90 TK2 (0.42) TK2TK1TYMPRNASE1
SCHEMBL6832155 0.90 TK2 (0.42) TK2TK1TYMPRNASE1
SCHEMBL6831283 0.89 TK2 (0.41) TK2TK1TYMPRNASE1
SCHEMBL8987793 0.88 TK2 (0.41) TK2TK1TYMPRNASE1
SCHEMBL21626198 0.87 TK2 (0.40) TK2TK1TYMP
SCHEMBL6364199 0.85 TK2 (0.49) TK2TK1RNASE1
SCHEMBL7995787 0.85 TK1 (0.39) TK2TK1TYMPRNASE1
SCHEMBL6830082 0.84 TK1 (0.39) TK2TK1RNASE1
SCHEMBL6830077 0.84 TK2 (0.38) TK2TK1TYMP

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
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
US-5712378-A SUGAR MOLECULE IS SUBSTITUTED WITH HYDROCARBON OR SUBSTITUTED HYDROCARBON GROUPS, ANTISENSE AGENTS ICN PHARMACEUTICALS (US) 1998-01-27 US disclosed