SCHEMBL2233971

SCHEMBL2233971

COC(=O)C(=CCN)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TET2 Q6N021 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ABAT P80404 1/20 0.33
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL2971024 0.78
SCHEMBL5918757 0.77 ALDH1A1 (0.36) ALDH1A1TET2EGLN1MAPTHPGD
SCHEMBL6009892 0.77 MAPT (0.37) ALDH1A1TET2EGLN1MAPTHPGD
SCHEMBL9687810 0.76 NPSR1 (0.54) ALDH1A1MAPT
SCHEMBL29972135 0.75 GABRR1 (0.32) GABRR1ABAT
SCHEMBL15673159 0.73 EP300 (0.39) ALDH1A1TET2EGLN1
SCHEMBL4008547 0.71 GRIK1 (0.36) ALDH1A1TET2EGLN1MAPTHPGD
SCHEMBL10971698 0.70 ALDH1A1 (0.39) ALDH1A1MAPTHPGD
SCHEMBL9573120 0.70 GABRR1 (0.40) GABRR1ALDH1A1ABAT
SCHEMBL2152202 0.70 EP300 (0.50)

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-2536690-A1 MULTIFUNCTIONAL RADICAL QUENCHERS AND THEIR USE Arizona Board Of Regents (US) 2012-12-26 EP disclosed
WO-2011103536-A1 MULTIFUNCTIONAL RADICAL QUENCHERS AND THEIR USE ARIZONA BOARD OF REGENTS (US) 2011-08-25 WO disclosed