SCHEMBL1935462

SCHEMBL1935462

O=C1Oc2ccccc2C(=O)C1c1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
KDM4E B2RXH2 1/20 0.64
MAPT P10636 5/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
STK17B O94768 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL18224247 0.86 MAPT (0.59) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL29880960 0.80 GAA (0.50) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL8100817 0.80 GAA (0.50) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL5649473 0.79 KMT2A (1.00) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL14701871 0.76 ESR2 (0.46) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL19387339 0.76 ESR2 (0.46) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL14671273 0.76 MEN1 (0.48) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL14671252 0.76 ESR2 (0.46) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL10800989 0.72 APP (0.46) KMT2AMEN1KDM4EMAPTCYP3A4
SCHEMBL8802445 0.70 GAA (0.54) KMT2AMEN1KDM4EMAPTESR1

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-2332527-A2 Flavanoids and Isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2011-06-15 EP disclosed