SCHEMBL4576450

CCOc1cc2c(cc1OC)C(c1ccc(SC)nc1)=N[C@@H]1CC[C@@H](OC(=O)C(=O)O[C@@H]3CC[C@H]4N=C(c5ccc(SC)nc5)c5cc(OC)c(OCC)cc5[C@H]4C3)C[C@H]21

nearest known ligand 0.48

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	PDE4D	Q08499	3/20	0.48

▸	PDE4A	P27815	2/20	0.48

▸	PDE4B	Q07343	1/20	0.48

▸	PDE4C	Q08493	1/20	0.48

▸	FPR2	P25090	15/20	0.33

▸	KDM4E	B2RXH2	1/20	0.33

▸	KMT2A	Q03164	2/20	0.32

▸	MEN1	O00255	1/20	0.32

▸	CHRM1	P11229	1/20	0.32

▸	PDE3A	Q14432	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
SCHEMBL1411083	0.89	PDE4D (0.50)	PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1411194	0.89	PDE4B (0.46)	PDE4DPDE4APDE4BPDE4CFPR2
Oxalic Acid SCHEMBL4576447	0.88	PDE4D (0.48)	PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1411071	0.86	PDE4D (0.48)	PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1410863	0.85	PDE4D (0.47)	PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1411583	0.85	PDE4D (0.48)	PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1411879	0.84	PDE4D (0.48)	PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1411271	0.83	PDE4D (0.49)	PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL2271405	0.83	PDE4D (0.49)	PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1411031	0.83	PDE4B (0.46)	PDE4DPDE4APDE4BPDE4CFPR2

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-20080194587-A1	phosphodiesterase inhibitor; drug for respiratory system disorders	NYCOMED GMBH (DE)	2008-08-14	—	—	US	disclosed