SCHEMBL312442

SCHEMBL312442

CCOC(=O)Cc1cc(O)ccc1-c1cc(=O)c2c(O)cc(O)cc2o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.62
TYR P14679 1/20 0.62
PTPN1 P18031 1/20 0.62
PTGS1 P23219 1/20 0.62
PTPN12 Q05209 1/20 0.62
PTPN22 Q9Y2R2 1/20 0.62
ALDH1A1 P00352 5/20 0.54
HPGD P15428 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 3/20 0.54
KDM4E B2RXH2 3/20 0.54
HSD17B10 Q99714 3/20 0.54
GAA P10253 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
XDH P47989 3/20 0.53
QPCT Q16769 7/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
TP53 P04637 4/20 0.51

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
SCHEMBL311402 0.89 ATM (0.53) BACE1TYRPTPN1PTGS1PTPN12
SCHEMBL311334 0.87 EGFR (0.46) BACE1TYRPTPN1PTGS1PTPN12
SCHEMBL312740 0.86 AKR1B1 (0.57) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL312252 0.84 AKR1B1 (0.46) PTPN1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL311962 0.84 EGFR (0.47) BACE1TYRPTPN1PTGS1PTPN12
SCHEMBL312410 0.84 CYP3A4 (0.52) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL10215485 0.82 HPGD (0.59) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL30142951 0.81 KDM4E (0.56) BACE1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL311742 0.81 BACE1 (0.62) BACE1TYRPTPN1PTGS1PTPN12
SCHEMBL312477 0.80 BACE1 (0.61) BACE1TYRPTPN1PTGS1PTPN12

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