SCHEMBL8294626

COc1ccccc1C1CCN(C(=O)O[C@@H]2C[C@H]3C(=O)NC4C[C@H]4/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N3C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	MEN1	O00255	4/20	0.37

▸	KMT2A	Q03164	4/20	0.37

▸	ADRB3	P13945	1/20	0.36

▸	ADRA2B	P18089	1/20	0.36

▸	ADRA2C	P18825	1/20	0.36

▸	PDE4B	Q07343	6/20	0.35

▸	L3MBTL1	Q9Y468	1/20	0.32

▸	ALDH1A1	P00352	1/20	0.32

▸	LMNA	P02545	1/20	0.32

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
SCHEMBL13886148	0.87	REN (0.33)	ADRB3ADRA2BADRA2CPDE4B
SCHEMBL8278256	0.87	REN (0.33)	ADRB3ADRA2BADRA2CPDE4B
SCHEMBL3970247	0.87	ADRB3 (0.49)	MEN1KMT2AADRB3ADRA2BADRA2C
SCHEMBL3970244	0.87	ADRB3 (0.49)	MEN1KMT2AADRB3ADRA2BADRA2C
SCHEMBL3970241	0.87	ADRB3 (0.49)	MEN1KMT2AADRB3ADRA2BADRA2C
SCHEMBL8294160	0.85	DRD2 (0.35)	ADRB3ADRA2BADRA2CALDH1A1LMNA
SCHEMBL8165110	0.82	DDB1 (0.34)	ADRB3ADRA2BADRA2C
SCHEMBL12770115	0.82	DDB1 (0.34)	ADRB3ADRA2BADRA2C
SCHEMBL13896342	0.80	SCN9A (0.32)	ADRB3ADRA2BADRA2C
SCHEMBL8249384	0.78	F2 (0.37)	—

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
WO-2005037214-A2	MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION	INTERMUNE, INC. (US)	2005-04-28	—	—	WO	disclosed