SCHEMBL6830424

SCHEMBL6830424

COc1ccc(C(OC2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COC=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.49
TYMS P04818 1/20 0.42
TK1 P04183 5/20 0.42
TOP2A P11388 2/20 0.41
TK2 O00142 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
SCHEMBL6323173 0.91 RNASE1 (0.51) RNASE1TYMSTK1TOP2ATK2
SCHEMBL25399868 0.88 RNASE1 (0.63) RNASE1TK1TK2
SCHEMBL4808054 0.88 RNASE1 (0.63) RNASE1TK1TK2
SCHEMBL25400848 0.88 RNASE1 (0.63) RNASE1TK1TK2
SCHEMBL4808051 0.88 RNASE1 (0.63) RNASE1TK1TK2
SCHEMBL25764517 0.88 RNASE1 (0.63) RNASE1TK1TK2
SCHEMBL25397633 0.88 RNASE1 (0.47) RNASE1TYMSTK1TOP2A
SCHEMBL25400545 0.88 RNASE1 (0.47) RNASE1TYMSTK1TOP2A
SCHEMBL6329583 0.87 TOP2A (0.56) RNASE1TK1TOP2ATK2
SCHEMBL8859632 0.87 RNASE1 (0.49) RNASE1TYMSTK1

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