SCHEMBL5032518

SCHEMBL5032518

CC(C)(C)OC(=O)CN(CCN(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)C(CCC(=O)O)C(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.31
EYA2 O00167 1/20 0.31
APP P05067 1/20 0.31
ACE P12821 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
CHRM2 P08172 1/20 0.30
ADRA2A P08913 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
DRD1 P21728 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
CYP2C19 P33261 1/20 0.30
ADRA1A P35348 1/20 0.30
DRD3 P35462 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL14345486 1.00 TDP1 (0.31) TDP1EYA2APPACEMEN1
SCHEMBL4564930 1.00 TDP1 (0.31) TDP1EYA2APPACEMEN1
SCHEMBL12202775 0.95
SCHEMBL12202789 0.95
SCHEMBL3498361 0.94 TDP1 (0.33) TDP1EYA2APPACEKDM4E
SCHEMBL3844876 0.90 EPOR (0.33) TDP1EYA2APPACEMEN1
SCHEMBL12694735 0.88 TDP1 (0.33) TDP1EYA2APPACEKDM4E
SCHEMBL8058792 0.86 CYP2D6 (0.35) TDP1EYA2APPACEKDM4E
SCHEMBL6511739 0.86 CYP2D6 (0.35) TDP1EYA2APPACEKDM4E
SCHEMBL5033034 0.83 MEN1 (0.34) MEN1GAAKMT2A

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-1935435-B1 Blood pool agents for nuclear magnetic resonance diagnostics BRACCO IMAGING SPA (IT) 2017-09-06 EP disclosed
EP-1140209-B1 BLOOD POOL AGENTS FOR NUCLEAR MAGNETIC RESONANCE DIAGNOSTICS BRACCO IMAGING SPA (IT) 2008-08-20 EP disclosed
EP-1935435-A2 Blood pool agents for nuclear magnetic resonance diagnostics Bracco Imaging S.p.A (IT) 2008-06-25 EP disclosed