SCHEMBL313004

SCHEMBL313004

CCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2c(O)cccc2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
POLH Q9Y253 2/20 0.49
AR P10275 8/20 0.49
CYP3A4 P08684 5/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 4/20 0.49
HPGD P15428 3/20 0.49
MAPK1 P28482 2/20 0.49
RAF1 P04049 1/20 0.49
MAOB P27338 1/20 0.47
TYR P14679 1/20 0.46
PTPN1 P18031 1/20 0.46
PTGS1 P23219 1/20 0.46
BACE1 P56817 1/20 0.46
PTPN12 Q05209 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
EGFR P00533 1/20 0.45
RET P07949 1/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL312477 0.90 BACE1 (0.61) ATMPOLHARCYP3A4MEN1
SCHEMBL312050 0.88 KDM4E (0.44) POLHMAPTHPGDMAPK1MAOB
SCHEMBL312748 0.87 TYR (0.44) POLHHPGDMAPK1MAOBTYR
SCHEMBL313540 0.86 MAPT (0.41) MEN1KMT2AMAPTHPGDMAPK1
SCHEMBL324201 0.86 HPGD (0.61) ATMCYP3A4MEN1KMT2AMAPT
SCHEMBL313348 0.85 ATM (0.49) ATMPOLHARCYP3A4MEN1
SCHEMBL311431 0.84 HPGD (0.46) CYP3A4MEN1KMT2AMAPTHPGD
SCHEMBL311784 0.84 AKR1B1 (0.46) CYP3A4MEN1KMT2AMAPTHPGD
SCHEMBL311791 0.84 HPGD (0.51) CYP3A4MEN1KMT2AMAPTHPGD
SCHEMBL312223 0.84 AKR1B1 (0.56) POLHCYP3A4MEN1KMT2AHPGD

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-8093273-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-01-10 US disclosed
EP-2332527-A2 Flavanoids and Isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2011-06-15 EP disclosed