SCHEMBL3843389

SCHEMBL3843389

COc1ccc(-c2cccc3occc(=O)c23)c(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
MAOB P27338 2/20 0.42
ALDH1A1 P00352 5/20 0.41
LMNA P02545 4/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
ODC1 P11926 1/20 0.41
MAOA P21397 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
PABPC1 P11940 1/20 0.39
XBP1 P17861 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL1859617 0.78 MAOB (0.59) MAOBALDH1A1LMNAKMT2AHPGD
SCHEMBL29959798 0.78 MAOB (0.59) MAOBALDH1A1LMNAKMT2AHPGD
SCHEMBL17237767 0.73 ABCB1 (0.53) ALDH1A1KMT2AHPGDNPC1SMN1; SMN2
SCHEMBL5804679 0.73 HDAC4 (0.76) HDAC4HDAC2HDAC8ALDH1A1KMT2A
SCHEMBL16812107 0.71 HDAC4 (0.73) HDAC4HDAC2HDAC8ALDH1A1KMT2A
SCHEMBL642228 0.70 HDAC4 (0.58) HDAC4HDAC2HDAC8ALDH1A1LMNA
SCHEMBL6255493 0.69 MAOB (0.40) MAOBALDH1A1LMNAKMT2AHPGD
SCHEMBL1764660 0.69 KDM4E (0.56) ALDH1A1KMT2AMEN1ODC1MAOA
Pisonin A SCHEMBL30895182 0.66 PTGS1 (0.61) KDM4EMAPTPOLB
SCHEMBL29568413 0.66 MAOB (0.48) MAOBALDH1A1LMNAKMT2AHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2087350-A1 COMPOUNDS The Robert Gordon University (GB) 2009-08-12 EP disclosed
WO-2008062184-A1 COMPOUNDS THE ROBERT GORDON UNIVERSITY (GB) 2008-05-29 WO disclosed
EP-1534698-A1 FLAVONOID COMPOUNDS AS THERAPEUTIC ANTIOXIDANTS The Rowett Research Institute (GB) 2005-06-01 EP disclosed
WO-2004007475-A1 FLAVONOID COMPOUNDS AS THERAPEUTIC ANTIOXIDANTS ROWETT RESEARCH INSTITUTE (GB) 2004-01-22 WO disclosed