SCHEMBL17704162

C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](OS(=O)(=O)c2ccc(Br)cc2)C[C@H]1C(=O)N(C(=O)OC(C)(C)C)[C@]1(C(=O)O)C[C@H]1C=C

nearest known ligand 0.34

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	HDAC1	Q13547	4/20	0.34

▸	HDAC8	Q9BY41	4/20	0.34

▸	MCL1	Q07820	7/20	0.34

▸	MMP2	P08253	3/20	0.34

▸	MMP9	P14780	3/20	0.34

▸	CYP3A4	P08684	1/20	0.33

▸	CXCR3	P49682	1/20	0.32

▸	BCL2	P10415	3/20	0.32

▸	BCL2L1	Q07817	2/20	0.32

▸	P2RX7	Q99572	1/20	0.31

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
SCHEMBL16106784	0.93	MMP2 (0.34)	HDAC1HDAC8MCL1MMP2MMP9
SCHEMBL16106786	0.87	MMP2 (0.35)	HDAC1HDAC8MCL1MMP2MMP9
SCHEMBL17704201	0.86	CYP3A4 (0.42)	MCL1MMP2MMP9CYP3A4
SCHEMBL21486298	0.86	CYP3A4 (0.42)	MCL1MMP2MMP9CYP3A4
SCHEMBL10082718	0.84	MMP2 (0.40)	HDAC1HDAC8MCL1MMP2MMP9
SCHEMBL16139599	0.84	MCL1 (0.31)	MCL1
SCHEMBL6877935	0.83	CYP3A4 (0.43)	MCL1MMP2MMP9CYP3A4
SCHEMBL10060996	0.83	CYP3A4 (0.43)	MCL1MMP2MMP9CYP3A4
SCHEMBL16508713	0.83	CYP3A4 (0.43)	MCL1MMP2MMP9CYP3A4
SCHEMBL10052378	0.83	CYP3A4 (0.43)	MCL1MMP2MMP9CYP3A4

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
EP-2780026-B1	HCV NS3 PROTEASE INHIBITORS	MERCK SHARP & DOHME (US)	2019-10-23	—	—	EP	disclosed
US-9328138-B2	HCV NS3 protease inhibitors	MSD ITALIA S.R.L. (IT)	2016-05-03	—	—	US	disclosed