SCHEMBL2108532

COc1ccc(C(OC(C(C)=O)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TYMP	P19971	3/20	0.54

▸	TAAR1	Q96RJ0	2/20	0.51

▸	HINT1	P49773	6/20	0.49

▸	HPGD	P15428	1/20	0.49

▸	GSK3A	P49840	2/20	0.47

▸	RPS6KA3	P51812	2/20	0.47

▸	MAPK14	Q16539	2/20	0.47

▸	NT5E	P21589	1/20	0.43

▸	PNP	P00491	1/20	0.43

▸	XDH	P47989	1/20	0.43

▸	KRAS	P01116	3/20	0.43

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
SCHEMBL2108884	0.91	TYMP (0.53)	TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL17599828	0.88	TYMP (0.49)	TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL16401878	0.88	TYMP (0.49)	TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL7100209	0.87	TYMP (0.54)	TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL2107702	0.86	TYMP (0.44)	TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL6831440	0.85	TYMP (0.48)	TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL2107506	0.85	ADORA1 (0.53)	TYMP
SCHEMBL16401843	0.85	TYMP (0.48)	TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL16401489	0.85	TYMP (0.48)	TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL8431261	0.83	TAAR1 (0.54)	TYMPTAAR1HINT1HPGDGSK3A

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-8158775-B2	Method for detaching protecting group on nucleic acid	NIPPON SHINYAKU CO., LTD. (JP)	2012-04-17	—	—	US	disclosed