Zinc Ion

SCHEMBL7258209

C=C(C)C(=O)Oc1ccc(-c2c3nc(c(-c4ccc(S(=O)(=O)[O-])cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)[O-])cc4)c4nc(c(-c5ccc(S(=O)(=O)[O-])cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.C=C(C)C(=O)Oc1ccc(-c2c3nc(c(-c4ccc(S(=O)(=O)[O-])cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)[O-])cc4)c4nc(c(-c5ccc(S(=O)(=O)[O-])cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Zn+2].[Zn+2].[Zn+2]

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	ENPP2	Q13822	1/20	0.52

▸	TERT	O14746	5/20	0.52

▸	TOP1	P11387	4/20	0.45

▸	CYCS	P99999	4/20	0.44

▸	ABCG2	Q9UNQ0	1/20	0.44

▸	ELANE	P08246	1/20	0.36

▸	KMT2A	Q03164	1/20	0.34

▸	ATM	Q13315	1/20	0.34

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
SCHEMBL8181762	0.90	ENPP2 (0.66)	ENPP2TERTTOP1CYCSABCG2
Magnesium SCHEMBL30566378	0.89	TOP1 (0.53)	ENPP2TERTTOP1CYCSABCG2
SCHEMBL30566373	0.89	TOP1 (0.53)	ENPP2TERTTOP1CYCSABCG2
SCHEMBL30566372	0.89	TOP1 (0.53)	ENPP2TERTTOP1CYCSABCG2
SCHEMBL7262340	0.85	TOP1 (0.53)	ENPP2TERTTOP1CYCSABCG2
SCHEMBL31019566	0.84	TOP1 (0.52)	ENPP2TERTTOP1CYCSABCG2
Acetic Acid SCHEMBL7939597	0.81	ENPP2 (0.64)	ENPP2TERTTOP1CYCSABCG2
Zinc Ion SCHEMBL11569891	0.81	ENPP2 (0.70)	ENPP2TERTTOP1CYCSABCG2
Zinc Ion SCHEMBL31042928	0.81	ENPP2 (0.70)	ENPP2TERTTOP1CYCSABCG2
SCHEMBL23706379	0.79	ENPP2 (0.70)	ENPP2TERTTOP1CYCSABCG2

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-0891977-B1	5-(4-Hydroxyphenyl)-porphyrin derivatives as photosensitisers	DLR EV (DE)	2003-01-29	—	—	EP	disclosed