SCHEMBL7917669

CCc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)[C@@H](O)[C@H]2OCCOC)c(=O)nc1NC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	TYMP	P19971	12/20	0.45

▸	P2RY6	Q15077	5/20	0.38

▸	P2RY14	Q15391	4/20	0.38

▸	NT5E	P21589	2/20	0.38

▸	TMIGD3	P0DMS9	1/20	0.35

▸	ADORA3	P0DMS8	1/20	0.35

▸	ADORA1	P30542	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
SCHEMBL261395	0.92	TYMP (0.46)	TYMPP2RY6P2RY14NT5ETMIGD3
SCHEMBL29531167	0.92	TYMP (0.46)	TYMPP2RY6P2RY14NT5ETMIGD3
SCHEMBL6515020	0.88	TYMP (0.49)	TYMPADORA1
SCHEMBL7261566	0.86	TYMP (0.46)	TYMPP2RY6P2RY14NT5ETMIGD3
SCHEMBL3065836	0.85	TYMP (0.47)	TYMPP2RY6P2RY14NT5ETMIGD3
SCHEMBL3065837	0.85	TYMP (0.47)	TYMPP2RY6P2RY14NT5ETMIGD3
SCHEMBL29254521	0.85	TYMP (0.43)	TYMPP2RY6P2RY14NT5ETMIGD3
SCHEMBL29254523	0.85	TYMP (0.43)	TYMPP2RY6P2RY14NT5ETMIGD3
SCHEMBL21552240	0.85	TYMP (0.47)	TYMPP2RY6P2RY14NT5ETMIGD3
SCHEMBL21552241	0.85	TYMP (0.47)	TYMPP2RY6P2RY14NT5ETMIGD3

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-6214986-B1	OLIGONUCLEOTIDE OF DEFINED NUCLEOTIDE SEQUENCE TARGETED TO HUMAN PROTEIN WHICH CONTROLS APOPTOSIS; ALTERS RATIOS OF ISOFORMS IN TISSUE; GENE EXPRESSION INHIBITION; SENSITIZING CELLS TO APOPTOTIC STIMULI	ISIS PHARMACEUTICALS, INC.	2001-04-10	—	—	US	disclosed