SCHEMBL872441

CN(C)[C@H]1C[C@@H](C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4C[C@H](N(C)C)CN4C(=O)[C@H]4CCCO4)cc3)cc2)N(OC[C@H]2CCCO2)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	HPGD	P15428	7/20	0.38

▸	ALDH1A1	P00352	5/20	0.38

▸	KMT2A	Q03164	4/20	0.38

▸	MEN1	O00255	3/20	0.38

▸	RAB9A	P51151	7/20	0.36

▸	NPC1	O15118	6/20	0.36

▸	TP53	P04637	2/20	0.36

▸	CYP1A2	P05177	1/20	0.36

▸	CYP2C9	P11712	1/20	0.36

▸	CYP2C19	P33261	1/20	0.36

▸	SMN1; SMN2	Q16637	3/20	0.36

▸	LMNA	P02545	2/20	0.36

▸	POLB	P06746	2/20	0.36

▸	HSD17B10	Q99714	2/20	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
SCHEMBL845344	0.89	MEN1 (0.44)	HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL872291	0.84	F2 (0.41)	HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL10119362	0.77	HPGD (0.48)	HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL844988	0.76	HPGD (0.43)	HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL845628	0.73	KMT2A (0.41)	HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL873261	0.72	LMNA (0.43)	HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL10119355	0.72	LMNA (0.42)	ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL845500	0.71	HPGD (0.51)	HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL845495	0.71	HPGD (0.51)	HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL873095	0.70	HDAC8 (0.38)	CYP2C9POLB

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