SCHEMBL8908103

CC(=O)N(CCCOc1cccc(-c2c3nc(c(-c4cccc(OCCCN(CC(=O)[O-])C(C)=O)c4)c4ccc([nH]4)c(-c4cccc(OCCCN(CC(=O)[O-])C(C)=O)c4)c4nc(c(-c5cccc(OCCCN(CC(=O)[O-])C(C)=O)c5)c5ccc2[nH]5)C=C4)C=C3)c1)CC(=O)[O-].CC(=O)N(CCCOc1cccc(-c2c3nc(c(-c4cccc(OCCCN(CC(=O)[O-])C(C)=O)c4)c4ccc([nH]4)c(-c4cccc(OCCCN(CC(=O)[O-])C(C)=O)c4)c4nc(c(-c5cccc(OCCCN(CC(=O)[O-])C(C)=O)c5)c5ccc2[nH]5)C=C4)C=C3)c1)CC(=O)[O-].CC(=O)N(CCCOc1cccc(-c2c3nc(c(-c4cccc(OCCCN(CC(=O)[O-])C(C)=O)c4)c4ccc([nH]4)c(-c4cccc(OCCCN(CC(=O)[O-])C(C)=O)c4)c4nc(c(-c5cccc(OCCCN(CC(=O)[O-])C(C)=O)c5)c5ccc2[nH]5)C=C4)C=C3)c1)CC(=O)[O-].[Mn+3].[Mn+3].[Mn+3].[Mn+3]

nearest known ligand 0.44

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	CHEK2	O96017	1/20	0.40

▸	PPARG	P37231	1/20	0.37

▸	PPARA	Q07869	1/20	0.37

▸	DYRK3	O43781	1/20	0.37

▸	MAP4K4	O95819	1/20	0.37

▸	PIM1	P11309	1/20	0.37

▸	RPS6KB1	P23443	1/20	0.37

▸	CSNK2A1	P68400	1/20	0.37

▸	PKN2	Q16513	1/20	0.37

▸	PIM3	Q86V86	1/20	0.37

▸	BRSK1	Q8TDC3	1/20	0.37

▸	AURKB	Q96GD4	1/20	0.37

▸	HIPK2	Q9H2X6	1/20	0.37

▸	CLK4	Q9HAZ1	1/20	0.37

▸	MKNK2	Q9HBH9	1/20	0.37

▸	STK17A	Q9UEE5	1/20	0.37

▸	MAP4K5	Q9Y4K4	1/20	0.37

▸	ABCG2	Q9UNQ0	1/20	0.37

▸	TOP1	P11387	3/20	0.36

▸	HDAC3	O15379	3/20	0.35

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
SCHEMBL8908128	0.92	PPARG (0.42)	CHEK2PPARGPPARADYRK3MAP4K4
SCHEMBL8865576	0.86	PDE3B (0.41)	CHEK2PPARGPPARADYRK3MAP4K4
SCHEMBL8865532	0.83	PDE3B (0.34)	CHEK2PPARGPPARADYRK3MAP4K4
SCHEMBL8909582	0.80	TOP1 (0.44)	ABCG2TOP1CYCSENPP2
Hydrochloric Acid SCHEMBL8865595	0.79	TOP1 (0.43)	ABCG2TOP1CYCSENPP2
SCHEMBL8908515	0.78	TOP1 (0.44)	ABCG2TOP1CYCSENPP2
SCHEMBL8908441	0.77	L3MBTL1 (0.50)	—
Hydrochloric Acid SCHEMBL8865553	0.77	TOP1 (0.43)	ABCG2TOP1CYCSENPP2
SCHEMBL6843058	0.76	CYP1A2 (0.48)	KDM4E
SCHEMBL19718153	0.76	PPARG (0.52)	PPARGPPARAHDAC3HDAC4HDAC1

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-0684948-B1	MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME	DIAGNOSTIKFORSCHUNG INST (DE)	1997-10-22	—	—	EP	claimed