SCHEMBL311334

SCHEMBL311334

CCOC(=O)Cc1cc(O)ccc1-c1cc(=O)c2c(O)c(O)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AKT1 P31749 1/20 0.44
TYR P14679 1/20 0.44
PTPN1 P18031 1/20 0.44
PTGS1 P23219 1/20 0.44
BACE1 P56817 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN22 Q9Y2R2 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
SCHEMBL311402 0.87 ATM (0.53) EGFRKDM4ESMN1; SMN2HSD17B10CYP1A2
SCHEMBL312442 0.87 BACE1 (0.62) KDM4ELMNAGAASMN1; SMN2HSD17B10
SCHEMBL311962 0.86 EGFR (0.47) EGFRKDM4ELMNAGAASMN1; SMN2
SCHEMBL312410 0.86 CYP3A4 (0.52) KDM4ELMNASMN1; SMN2TP53CYP1A2
SCHEMBL312252 0.84 AKR1B1 (0.46) EGFRKDM4ELMNAGAASMN1; SMN2
SCHEMBL312740 0.84 AKR1B1 (0.57) KDM4ELMNAGAASMN1; SMN2HSD17B10
SCHEMBL10215485 0.82 HPGD (0.59) KDM4ELMNASMN1; SMN2HSD17B10TP53
SCHEMBL312506 0.81 KDM4E (0.45) KDM4ELMNAGAASMN1; SMN2HSD17B10
SCHEMBL312050 0.80 KDM4E (0.44) EGFRKDM4ELMNAGAASMN1; SMN2
SCHEMBL311828 0.78 CYP2D6 (0.46) EGFRKDM4ELMNASMN1; SMN2HSD17B10

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