SCHEMBL6617231

COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)cc1OC1CCCCC1.COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](NC(=O)OC2COCOC2)[C@@H](C)O)cc1OC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	PDE4B	Q07343	9/20	0.43

▸	PDE4A	P27815	8/20	0.43

▸	PDE4C	Q08493	8/20	0.43

▸	PDE4D	Q08499	8/20	0.43

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
SCHEMBL4871545	0.95	PDE4A (0.46)	PDE4BPDE4APDE4CPDE4D
SCHEMBL7251478	0.94	PDE4A (0.47)	PDE4BPDE4APDE4CPDE4D
SCHEMBL4873029	0.94	PDE4A (0.47)	PDE4BPDE4APDE4CPDE4D
SCHEMBL6619976	0.94	MLNR (0.43)	PDE4BPDE4APDE4CPDE4D
SCHEMBL4869968	0.92	PDE4B (0.49)	PDE4BPDE4APDE4CPDE4D
SCHEMBL4869453	0.92	PDE4B (0.49)	PDE4BPDE4APDE4CPDE4D
SCHEMBL4862489	0.89	MLNR (0.47)	PDE4BPDE4APDE4CPDE4D
SCHEMBL4873477	0.88	MLNR (0.47)	PDE4BPDE4APDE4CPDE4D
SCHEMBL6616624	0.87	ABCB1 (0.46)	PDE4BPDE4APDE4CPDE4D
SCHEMBL4872834	0.85	PDE4B (0.42)	PDE4BPDE4APDE4CPDE4D

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
EP-1086076-B1	SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE	VERTEX PHARMA (US)	2004-12-22	—	—	EP	disclosed