SCHEMBL844988

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)[C@H]4CCCO4)cc3)cc2)N(C(=O)[C@H]2CCCO2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	HPGD	P15428	11/20	0.43

▸	NPC1	O15118	5/20	0.43

▸	RAB9A	P51151	5/20	0.43

▸	ALDH1A1	P00352	6/20	0.43

▸	POLB	P06746	5/20	0.43

▸	MEN1	O00255	3/20	0.42

▸	KMT2A	Q03164	3/20	0.42

▸	TP53	P04637	3/20	0.40

▸	CYP2C9	P11712	2/20	0.40

▸	CYP1A2	P05177	1/20	0.40

▸	CYP2C19	P33261	1/20	0.40

▸	SMN1; SMN2	Q16637	2/20	0.39

▸	HSD17B10	Q99714	1/20	0.39

▸	RORC	P51449	2/20	0.38

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
SCHEMBL845628	0.96	KMT2A (0.41)	HPGDNPC1RAB9AALDH1A1POLB
SCHEMBL2197678	0.83	HPGD (0.43)	HPGDNPC1RAB9AALDH1A1POLB
SCHEMBL845344	0.82	MEN1 (0.44)	HPGDNPC1RAB9AALDH1A1POLB
SCHEMBL845500	0.78	HPGD (0.51)	HPGDNPC1RAB9AALDH1A1POLB
SCHEMBL845495	0.78	HPGD (0.51)	HPGDNPC1RAB9AALDH1A1POLB
SCHEMBL872291	0.78	F2 (0.41)	HPGDNPC1RAB9AALDH1A1POLB
SCHEMBL845457	0.76	HPGD (0.55)	HPGDNPC1RAB9AALDH1A1POLB
SCHEMBL845778	0.76	CTSS (0.43)	ALDH1A1POLBMEN1KMT2ACYP2C9
SCHEMBL872441	0.76	HPGD (0.38)	HPGDNPC1RAB9AALDH1A1POLB
SCHEMBL845120	0.75	HPGD (0.47)	HPGDNPC1RAB9AALDH1A1POLB

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