SCHEMBL311364

SCHEMBL311364

CCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2ccncc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 3/20 0.44
LMNA P02545 1/20 0.44
BRAF P15056 7/20 0.43
EIF2AK3 Q9NZJ5 6/20 0.43
AKR1B1 P15121 1/20 0.43
QPCT Q16769 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAOB P27338 1/20 0.40
TRPV1 Q8NER1 1/20 0.38
TNKS O95271 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL312060 0.92 HPGD (0.44) HPGDKDM4EHSD17B10LMNABRAF
SCHEMBL311628 0.89 HPGD (0.45) HPGDKDM4EHSD17B10LMNABRAF
SCHEMBL312223 0.88 AKR1B1 (0.56) HPGDKDM4EHSD17B10LMNAAKR1B1
SCHEMBL312670 0.86 HPGD (0.42) HPGDKDM4EHSD17B10LMNAAKR1B1
SCHEMBL311739 0.86 KDM4E (0.44) HPGDKDM4EHSD17B10LMNABRAF
SCHEMBL324201 0.86 HPGD (0.61) HPGDKDM4EHSD17B10LMNAAKR1B1
SCHEMBL311791 0.86 HPGD (0.51) HPGDKDM4EHSD17B10LMNAAKR1B1
SCHEMBL312748 0.84 TYR (0.44) HPGDKDM4EHSD17B10LMNAQPCT
SCHEMBL311620 0.84 AKR1B1 (0.43) HPGDKDM4EHSD17B10LMNAAKR1B1
SCHEMBL311784 0.84 AKR1B1 (0.46) HPGDKDM4EHSD17B10LMNAAKR1B1

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