SCHEMBL12371805

CCCCCCCCCCCCCCCCCCCCCCOC1C(OC(=O)CC)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1ccc(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TYMP	P19971	1/20	0.41

▸	P2RY14	Q15391	2/20	0.39

▸	P2RY12	Q9H244	3/20	0.38

▸	P2RY1	P47900	2/20	0.36

▸	P2RY2	P41231	6/20	0.36

▸	TK2	O00142	3/20	0.35

▸	P2RY6	Q15077	2/20	0.35

▸	NT5E	P21589	1/20	0.35

▸	P2RY4	P51582	1/20	0.35

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
SCHEMBL18286616	0.94	TYMP (0.40)	TYMPP2RY14P2RY12P2RY1P2RY2
SCHEMBL12371804	0.94	TYMP (0.40)	TYMPP2RY14P2RY12P2RY2TK2
SCHEMBL18286621	0.93	TYMP (0.39)	TYMPP2RY14P2RY12P2RY2TK2
SCHEMBL9908655	0.91	TYMP (0.38)	TYMPP2RY14P2RY12P2RY2TK2
SCHEMBL4081765	0.91	TK2 (0.43)	TYMPP2RY14P2RY12P2RY2TK2
SCHEMBL30733474	0.90	TYMP (0.38)	TYMPP2RY14P2RY12P2RY2TK2
SCHEMBL30733464	0.90	TYMP (0.38)	TYMPP2RY14P2RY12P2RY2TK2
SCHEMBL6930638	0.89	TYMP (0.48)	TYMPP2RY14P2RY12P2RY1P2RY2
SCHEMBL6930639	0.89	TYMP (0.48)	TYMPP2RY14P2RY12P2RY1P2RY2
SCHEMBL31093241	0.89	TYMP (0.48)	TYMPP2RY14P2RY12P2RY1P2RY2

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-2011005861-A9	OLIGONUCLEOTIDE END CAPS	ALNYLAM PHARMACEUTICALS, INC. (US)	2011-08-11	—	—	WO	disclosed