SCHEMBL5372000

Cc1cn([C@@H]2O[C@H](COCC(C)(C)[Si](OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)[C@H](OCCO)[C@@H]3O)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2OCCO)c(=O)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	TK2	O00142	3/20	0.44

▸	TK1	P04183	2/20	0.39

▸	TYMP	P19971	4/20	0.38

▸	RNASE1	P07998	1/20	0.36

▸	TOP2A	P11388	1/20	0.36

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
SCHEMBL19812217	0.91	TK2 (0.47)	TK2TK1TYMPRNASE1TOP2A
SCHEMBL261288	0.91	TK2 (0.47)	TK2TK1TYMPRNASE1TOP2A
SCHEMBL261289	0.91	TK2 (0.47)	TK2TK1TYMPRNASE1TOP2A
SCHEMBL7065019	0.84	TK2 (0.42)	TK2TK1TYMPTOP2A
SCHEMBL7065021	0.84	TK2 (0.42)	TK2TK1TYMPTOP2A
SCHEMBL6840794	0.83	TK2 (0.41)	TK2TK1TYMPRNASE1TOP2A
SCHEMBL313035	0.83	TK2 (0.41)	TK2TK1TYMPRNASE1TOP2A
SCHEMBL260669	0.83	TK2 (0.41)	TK2TK1TYMPRNASE1TOP2A
SCHEMBL15216189	0.83	TK2 (0.41)	TK2TK1TYMPRNASE1TOP2A
SCHEMBL13187768	0.83	TK2 (0.41)	TK2TK1TYMPRNASE1TOP2A

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
US-7183380-B2	Human ataxin-1-like polypeptide IMX97018	IMMUNEX CORPORATION (US)	2007-02-27	—	—	US	disclosed