SCHEMBL3650558

SCHEMBL3650558

CC(=O)N(CCO)/N=C/c1ccccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
KDM4E B2RXH2 3/20 0.49
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
CCND1 P24385 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
PTGER1 P34995 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
LMNA P02545 8/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46

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
SCHEMBL3650559 1.00 MAPT (0.49) MAPTKDM4ECCNB2CDK1CDK4
SCHEMBL3652617 0.84 MAPT (0.47) MAPTKDM4ECCNB2CDK1CDK4
SCHEMBL3652618 0.84 MAPT (0.47) MAPTKDM4ECCNB2CDK1CDK4
SCHEMBL3504061 0.81 CYP1A2 (0.52) MAPTKDM4ELMNAL3MBTL1GAA
SCHEMBL3651698 0.80 MAPT (0.45) MAPTKDM4ECCNB2CDK1CDK4
SCHEMBL3651696 0.80 MAPT (0.45) MAPTKDM4ECCNB2CDK1CDK4
SCHEMBL8424861 0.75 ALDH1A1 (0.44) LMNAL3MBTL1ALDH1A1MEN1NPC1
SCHEMBL8424860 0.75 ALDH1A1 (0.44) LMNAL3MBTL1ALDH1A1MEN1NPC1
Butanedione SCHEMBL11053048 0.72 CCNB2 (0.62) MAPTKDM4ECCNB2CDK1CDK4
SCHEMBL28863987 0.72 RAB9A (0.77) MAPTKDM4ECCNB2CDK1CDK4

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-2195029-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES Oryzon Genomics SA (ES) 2010-06-16 EP disclosed
WO-2009027349-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS SA (ES) 2009-03-05 WO disclosed