SCHEMBL2475599

SCHEMBL2475599

CC(C)(C)OC(=O)C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)CN(CC(=O)O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 13/20 0.53
HCRTR1 O43613 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOA P21397 1/20 0.39
NMBR P28336 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
SCHEMBL2475588 1.00 SIRT2 (0.53) SIRT2HCRTR1MAPTPOLBTDP1
SCHEMBL2472734 0.93 SIRT2 (0.53) SIRT2HCRTR1MAPTPOLBTDP1
SCHEMBL2472735 0.93 SIRT2 (0.53) SIRT2HCRTR1MAPTPOLBTDP1
SCHEMBL2477239 0.92 SIRT2 (0.61) SIRT2NMBR
SCHEMBL2476426 0.92 SIRT2 (0.61) SIRT2NMBR
SCHEMBL2476422 0.92 SIRT2 (0.61) SIRT2NMBR
SCHEMBL2469722 0.91 SIRT2 (0.51) SIRT2MAPTPOLBTDP1MAOA
SCHEMBL2469716 0.91 SIRT2 (0.51) SIRT2MAPTPOLBTDP1MAOA
SCHEMBL2472238 0.88 SIRT2 (0.57) SIRT2NMBR
SCHEMBL2472234 0.88 SIRT2 (0.57) SIRT2NMBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371421-A1 Ligands of insulin degrading enzyme and their uses Université de Lille 2 Droit et Santé (FR) 2011-10-05 EP disclosed