SCHEMBL312117

SCHEMBL312117

CCOC(=O)Cc1cc(O)c(O)cc1-c1cc(=O)c2ccccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.55
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
HPGD P15428 7/20 0.51
KDM4E B2RXH2 6/20 0.51
CYP3A4 P08684 5/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
CSNK2A2 P19784 2/20 0.51
CSNK2B P67870 2/20 0.51
CSNK2A1 P68400 2/20 0.51
MAPT P10636 5/20 0.50
HSD17B10 Q99714 3/20 0.50
ALOX15 P16050 2/20 0.50
CYP2D6 P10635 2/20 0.50
TP53 P04637 1/20 0.50
ALOX12 P18054 1/20 0.50

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 0.88 HPGD (0.59) TNKSAKR1C3AKR1C2AKR1C1HPGD
SCHEMBL312120 0.83 TNKS (0.53) TNKSAKR1C3AKR1C2AKR1C1HPGD
SCHEMBL312749 0.80 TNKS (0.55) TNKSAKR1C3AKR1C2AKR1C1HPGD
SCHEMBL6747772 0.80 KDM4E (0.59) TNKSHPGDKDM4EMEN1KMT2A
SCHEMBL312252 0.79 AKR1B1 (0.46) TNKSHPGDKDM4ECYP3A4MEN1
SCHEMBL311129 0.79 HPGD (0.63) TNKSAKR1C3AKR1C2AKR1C1HPGD
SCHEMBL312740 0.79 AKR1B1 (0.57) TNKSHPGDKDM4ECYP3A4MEN1
SCHEMBL312410 0.79 CYP3A4 (0.52) HPGDKDM4ECYP3A4MEN1KMT2A
SCHEMBL311402 0.76 ATM (0.53) HPGDKDM4ECYP3A4MEN1KMT2A
SCHEMBL311828 0.75 CYP2D6 (0.46) HPGDKDM4ECYP3A4MEN1KMT2A

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