SCHEMBL7596254

SCHEMBL7596254

O=C(O)[C@H](Cc1ccccc1)NCCN[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.57
NPSR1 Q6W5P4 1/20 0.56
CYP1A2 P05177 1/20 0.55
NAALAD2 Q9Y3Q0 2/20 0.54
FOLH1 Q04609 1/20 0.53
MMP2 P08253 4/20 0.53
MMP9 P14780 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ADAMTS4 O75173 1/20 0.53
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
ACE P12821 1/20 0.51
CPA1 P15085 1/20 0.51
ACE2 Q9BYF1 1/20 0.51

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
SCHEMBL12207239 1.00 MME (0.57) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL995917 0.91 NPSR1 (0.55) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL27699635 0.91 MME (0.56) MMENPSR1NAALAD2ACECPA1
SCHEMBL27699637 0.91 MME (0.56) MMENPSR1NAALAD2ACECPA1
SCHEMBL30673629 0.89 MME (0.51) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL31688792 0.89 SIGMAR1 (0.59) MMENPSR1CYP1A2NAALAD2MMP2
SCHEMBL3343350 0.89 SIGMAR1 (0.59) MMENPSR1CYP1A2NAALAD2MMP2
SCHEMBL29091477 0.89 MME (0.51) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL547203 0.89 NAALAD2 (0.60) MMENPSR1CYP1A2NAALAD2ACE
SCHEMBL661567 0.89 SIGMAR1 (0.59) MMENPSR1CYP1A2NAALAD2MMP2

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 2 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 disclosed
US-6337064-B1 USED AS CONTRAST AGENT IN MAGNETIC RESONANCE IMAGING, MEDICAL DIAGNOSIS DIBRA S.P.A. (IT) 2002-01-08 US disclosed