SCHEMBL6830104

SCHEMBL6830104

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.34
TK2 O00142 8/20 0.34
RNASE1 P07998 1/20 0.33
TYMP P19971 1/20 0.33

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
SCHEMBL6830086 0.92 TK1 (0.34) TK1TK2RNASE1TYMP
SCHEMBL6827472 0.87 TK1 (0.32) TK1TK2RNASE1
SCHEMBL3290516 0.84 RNASE1 (0.43) TK1TK2RNASE1TYMP
SCHEMBL6830095 0.83 TK2 (0.35) TK1TK2RNASE1
SCHEMBL7995787 0.82 TK1 (0.39) TK1TK2RNASE1TYMP
SCHEMBL6831283 0.81 TK2 (0.41) TK1TK2RNASE1TYMP
SCHEMBL6830791 0.79 NT5M (0.33) TK1TK2RNASE1
SCHEMBL6830770 0.79 TK2 (0.43) TK1TK2RNASE1TYMP
SCHEMBL2113959 0.78 TYMP (0.37) TK1TK2TYMP
SCHEMBL6830784 0.77 RNASE1 (0.39) TK1TK2RNASE1

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 2 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-5712378-A SUGAR MOLECULE IS SUBSTITUTED WITH HYDROCARBON OR SUBSTITUTED HYDROCARBON GROUPS, ANTISENSE AGENTS ICN PHARMACEUTICALS (US) 1998-01-27 US disclosed