SCHEMBL312477

SCHEMBL312477

CCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2c(O)cc(O)cc2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.61
TYR P14679 1/20 0.61
PTPN1 P18031 1/20 0.61
PTGS1 P23219 1/20 0.61
PTPN12 Q05209 1/20 0.61
PTPN22 Q9Y2R2 1/20 0.61
XDH P47989 2/20 0.52
QPCT Q16769 7/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
TP53 P04637 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 3/20 0.50
MAPT P10636 3/20 0.50
CYP2C9 P11712 3/20 0.50
MAPK1 P28482 3/20 0.50
CYP2C19 P33261 3/20 0.50
NEU2 Q9Y3R4 1/20 0.50
GABRP O00591 3/20 0.49
GABRD O14764 3/20 0.49

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
SCHEMBL313004 0.90 ATM (0.52) BACE1TYRPTPN1PTGS1PTPN12
SCHEMBL312050 0.88 KDM4E (0.44) BACE1TYRPTPN1PTGS1PTPN12
SCHEMBL312748 0.87 TYR (0.44) BACE1TYRPTPN1PTGS1PTPN12
SCHEMBL312223 0.86 AKR1B1 (0.56) XDHQPCTMEN1KMT2ATP53
SCHEMBL313540 0.84 MAPT (0.41) BACE1TYRPTPN1PTGS1PTPN12
SCHEMBL311784 0.84 AKR1B1 (0.46) MEN1KMT2ATP53CYP3A4MAPT
SCHEMBL311791 0.84 HPGD (0.51) MEN1KMT2ATP53CYP3A4MAPT
SCHEMBL326091 0.84 ABL1 (0.42) BACE1TYRPTPN1PTGS1PTPN12
SCHEMBL312609 0.83 HPGD (0.42) BACE1TYRPTPN1PTGS1PTPN12
SCHEMBL324201 0.82 HPGD (0.61) MEN1KMT2ATP53CYP3A4CYP2D6

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