SCHEMBL4816225

Cc1cc(OCCN[C@@H](C)[C@@H](O)c2ccc(OCc3ccccc3)c(NS(C)(=O)=O)c2)cc(C)c1-c1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	ADRB3	P13945	11/20	0.40

▸	PDE4A	P27815	2/20	0.37

▸	PDE4B	Q07343	2/20	0.37

▸	PDE4C	Q08493	2/20	0.37

▸	PDE4D	Q08499	2/20	0.37

▸	GLO1	Q04760	1/20	0.37

▸	FFAR1	O14842	4/20	0.37

▸	TRPV1	Q8NER1	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
SCHEMBL4816218	1.00	ADRB3 (0.40)	ADRB3PDE4APDE4BPDE4CPDE4D
SCHEMBL4820454	0.96	ADRB3 (0.39)	ADRB3PDE4APDE4BPDE4CPDE4D
SCHEMBL4820449	0.96	ADRB3 (0.39)	ADRB3PDE4APDE4BPDE4CPDE4D
SCHEMBL5699440	0.90	KEAP1 (0.39)	ADRB3FFAR1
SCHEMBL5699447	0.90	KEAP1 (0.39)	ADRB3FFAR1
SCHEMBL4818984	0.89	ADRB3 (0.42)	ADRB3FFAR1
SCHEMBL5699461	0.89	FFAR1 (0.47)	ADRB3FFAR1
SCHEMBL4815105	0.89	ADRB3 (0.39)	ADRB3PDE4APDE4BPDE4CPDE4D
SCHEMBL5699460	0.89	FFAR1 (0.47)	ADRB3FFAR1
SCHEMBL4815109	0.89	ADRB3 (0.39)	ADRB3PDE4APDE4BPDE4CPDE4D

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-7417169-B2	Amino alcohol derivatives, medicinal composition containing the same, and use of these	KISSEI PHARMACEUTICAL CO., LTD. (JP)	2008-08-26	—	—	US	disclosed