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Edetic Acid

Edetic Acid

SCHEMBL9054050

O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3]

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.68
▸ ALOX15 P16050 2/20 0.68
▸ MAPT P10636 1/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ TDP1 Q9NUW8 2/20 0.50
▸ EYA2 O00167 1/20 0.50
▸ APP P05067 1/20 0.50
▸ ACE P12821 1/20 0.50
▸ BLM P54132 2/20 0.48
▸ PMP22 Q01453 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ DRD1 P21728 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ DRD3 P35462 1/20 0.48

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.

Compoundsimilaritytop predictedshared targets
Edetic Acid SCHEMBL9054100 1.00 KDM4E (0.68) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL29351646 1.00 KDM4E (0.68) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL9055511 1.00 KDM4E (0.68) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL65335 1.00 KDM4E (0.68) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL1123289 1.00 KDM4E (0.68) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL9306164 0.97 KDM4E (0.65) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL5193313 0.97 KDM4E (0.65) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL10487199 0.97 KDM4E (0.65) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL7190674 0.97 KDM4E (0.73) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL7635427 0.97 KDM4E (0.65) KDM4EALOX15MAPTSMN1; SMN2TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725562-A1 INGESTABLE MOLLUSC POISONS W. NEUDORFF GmbH KG (DE) 1996-08-14 — — EP disclosed
WO-1996005728-A1 INGESTABLE MOLLUSC POISONS W. NEUDORFF GMBH KG (DE) 1996-02-29 — — WO disclosed
US-5437870-A A toxic bait for plant pests comprising an iron compound and edetic acid, hydroxyethylethylenediaminetriacetate or salts W. NEUDORFF GMBH KG (DE) 1995-08-01 — — US disclosed