SCHEMBL6852152

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H](O[C@@H]3CCCC[C@H]3OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	TYMP	P19971	6/20	0.48

▸	TK2	O00142	4/20	0.39

▸	TK1	P04183	2/20	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.

Compound	similarity	top predicted	shared targets
SCHEMBL7702801	0.89	TYMP (0.54)	TYMPTK2TK1
SCHEMBL7702799	0.89	TYMP (0.54)	TYMPTK2TK1
SCHEMBL22984025	0.89	TYMP (0.54)	TYMPTK2TK1
SCHEMBL13714472	0.85	TYMP (0.62)	TYMPTK2TK1
SCHEMBL15974161	0.85	TYMP (0.62)	TYMPTK2TK1
SCHEMBL13205014	0.85	TYMP (0.62)	TYMPTK2TK1
SCHEMBL3069436	0.85	TYMP (0.62)	TYMPTK2TK1
SCHEMBL3069438	0.85	TYMP (0.62)	TYMPTK2TK1
SCHEMBL9710318	0.85	TYMP (0.62)	TYMPTK2TK1
SCHEMBL6246850	0.85	TYMP (0.62)	TYMPTK2TK1

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2004043977-A2	2’-FLUORO SUBSTITUTED OLIGOMERIC COMPOUNDS AND COMPOSITIONS FOR USE IN GENE MODULATIONS	ISIS PHARMACEUTICALS, INC. (US)	2004-05-27	—	—	WO	disclosed