SCHEMBL7874213

SCHEMBL7874213

CC(C)(C)OC(=O)CN(CCN[C@@H](CCC(=O)O)C(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
FOLH1 Q04609 1/20 0.31
RIMKLA Q8IXN7 1/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.31
GGH Q92820 1/20 0.31
CASR P41180 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
SCHEMBL7882798 1.00 ITGA4 (0.33) ITGA4ITGB7MEN1GAAKMT2A
SCHEMBL7882789 0.91 FOLH1 (0.38) MEN1GAAKMT2AFOLH1RIMKLA
SCHEMBL3498662 0.88 MEN1 (0.30) MEN1GAAKMT2A
SCHEMBL24067602 0.84
SCHEMBL20472579 0.78 EPHX2 (0.41) MEN1GAAKMT2AFOLH1
SCHEMBL14345486 0.77 TDP1 (0.31) MEN1GAAKMT2A
SCHEMBL5032518 0.77 TDP1 (0.31) MEN1GAAKMT2A
SCHEMBL4564930 0.77 TDP1 (0.31) MEN1GAAKMT2A
SCHEMBL7260266 0.76 MAOA (0.35) MEN1GAAKMT2A
SCHEMBL31301869 0.75 KMT2A (0.36) ITGA4ITGB7MEN1GAAKMT2A

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-1140209-A1 BLOOD POOL AGENTS FOR NUCLEAR MAGNETIC RESONANCE DIAGNOSTICS BRACCO IMAGING S.p.A. (IT) 2001-10-10 EP disclosed
WO-2000038738-A1 BLOOD POOL AGENTS FOR NUCLEAR MAGNETIC RESONANCE DIAGNOSTICS BRACCO IMAGING S.P.A. (IT) 2000-07-06 WO disclosed