SCHEMBL845768

CC(C)(C)O[C@@H]1C[C@@H](C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4C[C@@H](OC(C)(C)C)CN4C(=O)OCc4ccccc4)cc3)cc2)N(C(=O)CCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	POLB	P06746	2/20	0.49

▸	KDM4E	B2RXH2	1/20	0.44

▸	LMNA	P02545	1/20	0.44

▸	KDM1A	O60341	1/20	0.42

▸	RCOR1	Q9UKL0	1/20	0.42

▸	HSD17B10	Q99714	1/20	0.41

▸	NPSR1	Q6W5P4	1/20	0.41

▸	HDAC8	Q9BY41	2/20	0.39

▸	TSHR	P16473	2/20	0.39

▸	ALDH1A1	P00352	1/20	0.39

▸	MMP2	P08253	2/20	0.39

▸	ANPEP	P15144	1/20	0.39

▸	F10	P00742	2/20	0.38

▸	L3MBTL1	Q9Y468	1/20	0.37

▸	GFER	P55789	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
SCHEMBL845491	0.93	POLB (0.55)	POLBKDM4ELMNAKDM1ARCOR1
SCHEMBL845118	0.89	POLB (0.51)	POLBKDM4ELMNAKDM1ARCOR1
SCHEMBL873225	0.87	POLB (0.54)	POLBKDM4ELMNAKDM1ARCOR1
SCHEMBL845165	0.86	KDM4E (0.55)	POLBKDM4ELMNAKDM1ARCOR1
SCHEMBL845778	0.85	CTSS (0.43)	POLBKDM4ELMNANPSR1HDAC8
SCHEMBL844855	0.84	POLB (0.58)	POLBKDM4ELMNAKDM1ARCOR1
SCHEMBL845254	0.84	POLB (0.58)	POLBKDM4ELMNAKDM1ARCOR1
SCHEMBL845689	0.84	POLB (0.58)	POLBKDM4ELMNAKDM1ARCOR1
SCHEMBL873144	0.82	HDAC8 (0.37)	POLBKDM4ELMNAKDM1ARCOR1
SCHEMBL845261	0.82	POLB (0.56)	POLBKDM4ELMNAKDM1ARCOR1

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-8143288-B2	Inhibitors of HCV replication	BRISTOL-MYERS SQUIBB COMPANY (US)	2012-03-27	—	—	US	disclosed