SCHEMBL1708417

SCHEMBL1708417

C=C1C(O)=CC(=O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
MAPK1 P28482 4/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 2/20 0.52
HPGD P15428 2/20 0.52
PTPN22 Q9Y2R2 1/20 0.52
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PABPC1 P11940 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
BACE1 P56817 2/20 0.43
IDO1 P14902 3/20 0.42
CDC25B P30305 3/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
SNCA P37840 2/20 0.42
AKT1 P31749 1/20 0.42
MAP2K1 Q02750 1/20 0.42
PIN1 Q13526 1/20 0.42

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
SCHEMBL9915565 0.81 MAPT (0.74) MAPTMAPK1KDM4EALDH1A1CYP3A4
Lawsone SCHEMBL9136705 0.78 MAPT (0.63) MAPTMAPK1KDM4EALDH1A1CYP3A4
Lawsone SCHEMBL5826345 0.77 MAPT (0.68) MAPTMAPK1KDM4EALDH1A1CYP3A4
Lawsone SCHEMBL29350263 0.77 MAPT (0.68) MAPTMAPK1KDM4EALDH1A1CYP3A4
Lawsone SCHEMBL6849999 0.77 MAPT (0.68) MAPTMAPK1KDM4EALDH1A1CYP3A4
Lawsone SCHEMBL16541 0.77 MAPT (0.68) MAPTMAPK1KDM4EALDH1A1CYP3A4
Lawsone SCHEMBL6052709 0.76 MAPT (0.65) MAPTMAPK1KDM4EALDH1A1CYP3A4
Lawsone SCHEMBL6052722 0.76 MAPT (0.65) MAPTMAPK1KDM4EALDH1A1CYP3A4
Lawsone SCHEMBL6052663 0.76 MAPT (0.65) MAPTMAPK1KDM4EALDH1A1CYP3A4
Lawsone SCHEMBL918203 0.72 MAPT (0.61) MAPTMAPK1KDM4EALDH1A1CYP3A4

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-1848432-B1 Pharmaceutical composition for the treatment or prevention of diseases involving obesity, diabetes, metabolic syndrome, neuro-degenerative diseases and mitochondria dysfunction diseases MD BIOALPHA CO LTD (KR) 2013-07-17 EP disclosed
WO-2012047628-A2 METHODS OF MANAGING BLOOD SUGAR LEVELS AND COMPOSITIONS RELATED THERETO EMORY UNIVERSITY (US) 2012-04-12 WO disclosed