SCHEMBL7900375

SCHEMBL7900375

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

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.40
RNASE1 P07998 1/20 0.39
NT5M Q9NPB1 1/20 0.38

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
SCHEMBL4580937 0.90 NT5M (0.41) TK1RNASE1NT5M
SCHEMBL8931976 0.86 TK1 (0.38) TK1RNASE1NT5M
SCHEMBL8931975 0.85 TK1 (0.37) TK1RNASE1NT5M
SCHEMBL29703065 0.83 TK1 (0.36) TK1RNASE1NT5M
SCHEMBL6832155 0.82 TK2 (0.42) TK1RNASE1
SCHEMBL9014399 0.82 NT5M (0.43) TK1RNASE1NT5M
Doxribtimine SCHEMBL9386077 0.81 TYMS (0.46) TK1RNASE1
SCHEMBL2113756 0.80 TK1 (0.42) TK1RNASE1NT5M
SCHEMBL8426287 0.79 TK1 (0.45) TK1RNASE1NT5M
SCHEMBL9564565 0.78 TK1 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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