SCHEMBL5219675

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)[C@H](OC)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](Oc3ccccc3OC)[C@@H]2OC(=O)CCC(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	TDP1	Q9NUW8	2/20	0.36

▸	P2RY14	Q15391	1/20	0.34

▸	DPAGT1	Q9H3H5	5/20	0.33

▸	TK2	O00142	1/20	0.32

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
SCHEMBL5576839	0.82	TK2 (0.39)	TK2
SCHEMBL26000209	0.74	TYMP (0.42)	P2RY14TK2
SCHEMBL26002092	0.74	TYMP (0.42)	P2RY14TK2
SCHEMBL8538694	0.72	P2RY14 (0.44)	P2RY14DPAGT1
SCHEMBL8970268	0.72	P2RY14 (0.46)	P2RY14
SCHEMBL18286616	0.71	TYMP (0.40)	P2RY14TK2
SCHEMBL442715	0.71	P2RY14 (0.48)	P2RY14
SCHEMBL15782524	0.71	TYMP (0.43)	P2RY14TK2
SCHEMBL19840573	0.71	TYMP (0.43)	P2RY14TK2
SCHEMBL17231047	0.71	TYMP (0.43)	P2RY14TK2

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
EP-1743901-A2	Oligonucleotides having A-DNA or B-DNA form	ISIS PHARMACEUTICALS, INC. (US)	2007-01-17	—	—	EP	disclosed