SCHEMBL6830442

SCHEMBL6830442

COC[C@]1(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.42
TK2 O00142 6/20 0.40
NT5M Q9NPB1 1/20 0.40
RNASE1 P07998 1/20 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
SCHEMBL6830445 1.00 TK1 (0.42) TK1TK2NT5MRNASE1
SCHEMBL18315872 0.89 TK1 (0.41) TK1TK2NT5MRNASE1
SCHEMBL6830069 0.87 TK1 (0.38) TK1TK2RNASE1
SCHEMBL6827522 0.87 TK1 (0.38) TK1TK2RNASE1
SCHEMBL6873193 0.83 TK1 (0.42) TK1TK2NT5MRNASE1
SCHEMBL913469 0.83 TK1 (0.40) TK1TK2NT5M
SCHEMBL25630176 0.82 TK1 (0.41) TK1TK2NT5MRNASE1
SCHEMBL8932071 0.81 TOP2A (0.40) TK1TK2
SCHEMBL8931965 0.81 TOP2A (0.40) TK1TK2
SCHEMBL25401639 0.81 RNASE1 (0.43) TK1TK2NT5MRNASE1

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