SCHEMBL7597828

SCHEMBL7597828

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.57
FOLH1 Q04609 1/20 0.54
SLC7A5 Q01650 1/20 0.51
MME P08473 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ACE P12821 7/20 0.49
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
CA2 P00918 3/20 0.48
CA1 P00915 2/20 0.48
CAMK2A Q9UQM7 1/20 0.46

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
Sulfuric Acid SCHEMBL1507970 0.94 NAALAD2 (0.52) NAALAD2FOLH1SLC7A5MMEMEN1
SCHEMBL10778599 0.88 FOLH1 (0.55) NAALAD2FOLH1SLC7A5MMEMEN1
SCHEMBL2214358 0.88 FOLH1 (0.55) NAALAD2FOLH1SLC7A5MMEMEN1
SCHEMBL2214359 0.88 FOLH1 (0.55) NAALAD2FOLH1SLC7A5MMEMEN1
SCHEMBL8393439 0.87 FOLH1 (0.55) NAALAD2FOLH1SLC7A5MMEMEN1
SCHEMBL31538191 0.87 FOLH1 (0.51) NAALAD2FOLH1SLC7A5MMEMEN1
SCHEMBL1272029 0.86 NAALAD2 (0.55) NAALAD2FOLH1MMEL3MBTL1CPA1
SCHEMBL547297 0.86 NAALAD2 (0.55) NAALAD2FOLH1MMEL3MBTL1CPA1
SCHEMBL547710 0.86 NAALAD2 (0.55) NAALAD2FOLH1MMEL3MBTL1CPA1
SCHEMBL8875817 0.85 TDP1 (0.51) NAALAD2FOLH1MMEMEN1KMT2A

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 8 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
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