SCHEMBL312841

SCHEMBL312841

CCOC(=O)Nc1cc(O)ncc1-c1cc(=O)c2ccc(O)cc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.50
HPGD P15428 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TP53 P04637 2/20 0.45
ALOX15 P16050 1/20 0.45
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 4/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 3/20 0.43
QPCT Q16769 3/20 0.43
CYP19A1 P11511 2/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
MPO P05164 1/20 0.43
MAPK1 P28482 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43
TNKS O95271 3/20 0.43

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
SCHEMBL313038 0.92 HPGD (0.46) AKR1B1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL312009 0.89 KDM4E (0.58) HPGDMEN1KMT2ATP53ALOX15
SCHEMBL311620 0.88 AKR1B1 (0.43) AKR1B1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL312223 0.88 AKR1B1 (0.56) AKR1B1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL312670 0.86 HPGD (0.42) AKR1B1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL311971 0.83 AKR1B1 (0.51) AKR1B1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL313348 0.82 ATM (0.49) HPGDSMN1; SMN2MEN1KMT2AALOX15
SCHEMBL311723 0.82 HPGD (0.43) HPGDMEN1KMT2AALOX15KDM4E
SCHEMBL311355 0.81 AKR1B1 (0.51) AKR1B1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL311364 0.80 HPGD (0.44) AKR1B1HPGDSMN1; SMN2MEN1KMT2A

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