SCHEMBL6429966

SCHEMBL6429966

O=C(O)CN(CCN(CCN(CC(=O)O)[C@@H](Cc1ccccc1)C(=O)O)CP(=O)(O)O)[C@@H](Cc1ccccc1)C(=O)O.[Na].[Na].[Na]

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 7/20 0.42
ANPEP P15144 4/20 0.42
ACP3 P15309 1/20 0.38
ERAP2 Q6P179 4/20 0.37
CYP1A2 P05177 1/20 0.36
CPA1 P15085 2/20 0.36
CPB1 P15086 1/20 0.36
CPA3 P15088 1/20 0.36
CPB2 Q96IY4 1/20 0.36
ADAMTS5 Q9UNA0 2/20 0.36
ERAP1 Q9NZ08 2/20 0.36

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
SCHEMBL6428029 0.99 LAP3 (0.43) LAP3ANPEPACP3ERAP2CYP1A2
SCHEMBL7668229 0.85 CYP1A2 (0.43) CYP1A2CPA1CPB1CPA3CPB2
SCHEMBL7596061 0.85 CYP1A2 (0.43) CYP1A2CPA1CPB1CPA3CPB2
SCHEMBL29588115 0.85 CYP1A2 (0.43) CYP1A2CPA1CPB1CPA3CPB2
SCHEMBL7597594 0.85 CYP1A2 (0.48) CYP1A2CPA1CPB1CPA3CPB2
SCHEMBL6429957 0.85 LAP3 (0.38) LAP3ANPEPACP3ERAP2ERAP1
SCHEMBL8398238 0.84 CYP1A2 (0.47) CYP1A2CPA1CPB1CPA3CPB2
SCHEMBL1394685 0.83 MAOB (0.39) LAP3ANPEP
SCHEMBL6428109 0.83 MAOB (0.39) LAP3ANPEP
SCHEMBL2991862 0.81 LAP3 (0.50) LAP3ANPEPACP3ERAP2CYP1A2

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-1155023-B1 CHELATING COMPOUNDS AND THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO SPA (IT) 2005-03-02 EP disclosed
EP-1155023-A1 CHELATING COMPOUNDS AND THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.p.A. (IT) 2001-11-21 EP disclosed
WO-2001046207-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.P.A. (IT) 2001-06-28 WO disclosed