SCHEMBL6763522

SCHEMBL6763522

CC1(C)CC(NC(=O)CN(CCN(CC(N)=O)CC(N)=O)CC(N)=O)CC(C)(C)N1O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 1/20 0.37
MAOB P27338 1/20 0.34
MAPK8 P45983 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
SCHEMBL18329655 0.87 KDM4E (0.40) GAAKDM4EKMT2AMAOBMAPK8
SCHEMBL7914274 0.78 GAA (0.43) GAAKDM4EKMT2AMAOBMAPK8
SCHEMBL12352252 0.77 GAA (0.50) GAAKDM4EKMT2AMAOBMAPK8
SCHEMBL4407502 0.77 SMN1; SMN2 (0.43) GAAKDM4EKMT2AMAOBMAPK8
Edetic Acid SCHEMBL986952 0.76 KDM4E (0.40) GAAKDM4EKMT2AMAOB
Edetic Acid SCHEMBL2831275 0.76 KDM4E (0.40) GAAKDM4EKMT2AMAOB
Edetic Acid SCHEMBL1233036 0.76 KDM4E (0.40) GAAKDM4EKMT2AMAOB
Edetic Acid SCHEMBL1232066 0.76 KDM4E (0.40) GAAKDM4EKMT2AMAOB
Edetic Acid SCHEMBL15163476 0.76 KDM4E (0.40) GAAKDM4EKMT2AMAOB
SCHEMBL1463814 0.76 GAA (0.47) GAAKDM4EKMT2AMAOBMAPK8

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
US-6726854-B2 FOR STABILIZATION OF VINYLICALLY UNSATURATED COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2004-04-27 US disclosed
US-6518453-B1 In a process for stabilizing chemical compounds having at least one ethylenically unsaturated bond to undesired free radical polymerization, a nitroxyl radical and a chemical compound containing phosphorus in chemically bonded form are BASF AKTIENGESELLSCHAFT (DE) 2003-02-11 US disclosed