SCHEMBL7598191

SCHEMBL7598191

O=C(O)CN(CCN(CC(=O)O)[C@@H](Cc1ccc(O)cc1)C(=O)O)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.44
TDP1 Q9NUW8 2/20 0.40
EYA2 O00167 1/20 0.40
APP P05067 1/20 0.40
ACE P12821 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL7600927 0.94 SLC7A5 (0.49) SLC7A5SLC6A2CA2CAMK2ANAALAD2
SCHEMBL29588115 0.88 CYP1A2 (0.43) SLC7A5TDP1EYA2APPACE
SCHEMBL7596061 0.88 CYP1A2 (0.43) SLC7A5TDP1EYA2APPACE
SCHEMBL7630147 0.88 SLC7A5 (0.39) SLC7A5CA2CA1CA4
SCHEMBL14357545 0.88 SLC7A5 (0.51) SLC7A5SLC6A2CA2CAMK2ANAALAD2
SCHEMBL9435308 0.87 TDP1 (0.39) TDP1EYA2APPACEKDM4E
SCHEMBL5252487 0.87 TDP1 (0.39) TDP1EYA2APPACEKDM4E
SCHEMBL7668229 0.85 CYP1A2 (0.43) SLC7A5TDP1EYA2APPACE
SCHEMBL9001972 0.83 TDP1 (0.40) TDP1EYA2APPACEKDM4E
SCHEMBL7513236 0.83 TDP1 (0.40) TDP1EYA2APPACEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061956-B1 MANGANESE CHELATES WITH HIGH RELAXIVITY IN SERUM BRACCO SPA (IT) 2002-12-11 EP claimed
JP-2002506049-A 2002-02-26 JP claimed
US-6337064-B1 USED AS CONTRAST AGENT IN MAGNETIC RESONANCE IMAGING, MEDICAL DIAGNOSIS DIBRA S.P.A. (IT) 2002-01-08 US claimed
EP-1061956-A1 MANGANESE CHELATES WITH HIGH RELAXIVITY IN SERUM BRACCO S.p.A. (IT) 2000-12-27 EP claimed
WO-1999045967-A1 MANGANESE CHELATES WITH HIGH RELAXIVITY IN SERUM BRACCO S.P.A. (IT) 1999-09-16 WO claimed
EP-1061956-B1 MANGANESE CHELATES WITH HIGH RELAXIVITY IN SERUM BRACCO SPA (IT) 2002-12-11 EP disclosed
US-6337064-B1 USED AS CONTRAST AGENT IN MAGNETIC RESONANCE IMAGING, MEDICAL DIAGNOSIS DIBRA S.P.A. (IT) 2002-01-08 US disclosed
EP-1061956-A1 MANGANESE CHELATES WITH HIGH RELAXIVITY IN SERUM BRACCO S.p.A. (IT) 2000-12-27 EP disclosed
WO-1999045967-A1 MANGANESE CHELATES WITH HIGH RELAXIVITY IN SERUM BRACCO S.P.A. (IT) 1999-09-16 WO disclosed