SCHEMBL311828

SCHEMBL311828

CCOC(=O)Cc1cc(O)ccc1-c1cc(=O)c2cccc(O)c2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
CYP3A4 P08684 5/20 0.43
HPGD P15428 5/20 0.43
KDM4E B2RXH2 5/20 0.43
CYP2C19 P33261 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP2C9 P11712 3/20 0.43
EGFR P00533 2/20 0.43
TSHR P16473 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 1/20 0.40
AKR1B1 P15121 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
ALOX15 P16050 3/20 0.40
HSD17B10 Q99714 3/20 0.40
RECQL P46063 2/20 0.40
TP53 P04637 2/20 0.40

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
SCHEMBL10215485 0.85 HPGD (0.59) CYP2D6CYP3A4HPGDKDM4ECYP2C19
SCHEMBL311962 0.85 EGFR (0.47) HPGDKDM4EMEN1KMT2AEGFR
SCHEMBL311402 0.84 ATM (0.53) CYP3A4HPGDKDM4ECYP2C19MEN1
SCHEMBL312252 0.83 AKR1B1 (0.46) CYP3A4HPGDKDM4ECYP2C19MEN1
SCHEMBL312740 0.83 AKR1B1 (0.57) CYP3A4HPGDKDM4ECYP2C19MEN1
SCHEMBL312410 0.83 CYP3A4 (0.52) CYP2D6CYP3A4HPGDKDM4ECYP2C19
SCHEMBL311794 0.81 CYP3A4 (0.44) CYP2D6CYP3A4HPGDKDM4ECYP2C19
SCHEMBL311431 0.80 HPGD (0.46) CYP2D6CYP3A4HPGDKDM4ECYP2C19
SCHEMBL312442 0.78 BACE1 (0.62) CYP2D6CYP3A4HPGDKDM4ECYP2C19
SCHEMBL311334 0.78 EGFR (0.46) HPGDKDM4EKMT2AEGFRALDH1A1

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