SCHEMBL6583774

SCHEMBL6583774

COc1cc(OC)c2c(C)c(CCc3ccccc3)c(=O)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.49
ADORA2B P29275 1/20 0.48
PDE5A O76074 1/20 0.41
PDE10A Q9Y233 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTPN1 P18031 1/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
ABCC1 P33527 1/20 0.39
DHODH Q02127 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL6590133 0.89 ABCG2 (0.50) ABCG2PDE5APDE10AMEN1KMT2A
SCHEMBL15931625 0.81 ABCG2 (0.44) ABCG2PDE10ABRD4ALDH1A1KDM4E
SCHEMBL14246722 0.80 PDE10A (0.43) ABCG2PDE10AMEN1KMT2AALDH1A1
SCHEMBL15931626 0.80 ABCG2 (0.44) ABCG2PDE10AMEN1KMT2AALDH1A1
SCHEMBL6583824 0.78 ABCG2 (0.46) ABCG2PDE5APDE10AALDH1A1KDM4E
SCHEMBL14246819 0.78 ABCG2 (0.43) ABCG2PDE10AMEN1KMT2APDE3B
SCHEMBL14317881 0.78 MAPT (0.47) ABCG2PDE10AMEN1KMT2AALDH1A1
SCHEMBL12502075 0.78 ABCG2 (0.53) ABCG2PDE5AMEN1KMT2AALDH1A1
SCHEMBL14317870 0.77 KDM4E (0.44) PDE10AMEN1KMT2AALDH1A1KDM4E
SCHEMBL12501932 0.76 ALDH1A1 (0.49) ABCG2PDE10AMEN1KMT2AALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001774-B1 USE OF PHOSPHOLAMBAN INHIBITORS FOR INCREASING CORONARY FLOW ORION CORP (FI) 2004-09-15 EP disclosed
US-6774103-B1 Compounds for deactivating phospholamban function on Ca-ATPase (phospholamban inhibitors) ORION CORPORATION (FI) 2004-08-10 US disclosed
US-6538022-B1 Three-dimensional structure of the cytosolic domain of phospholamban (PLB) and its active site from NMR data of sufficiently high resolution for the three-dimensional structure determination. rational drug design enabling the ORION CORPORATION (FI) 2003-03-25 US disclosed
EP-1039884-B1 A METHOD FOR THE PREVENTION AND TREATMENT OF STUNNED MYOCARDIUM ORION CORP (FI) 2002-09-18 EP disclosed
US-6265421-B1 DILATATION OF ARTERIES ORION CORPORATION (FI) 2001-07-24 US disclosed
EP-1039884-A1 A METHOD FOR THE PREVENTION AND TREATMENT OF STUNNED MYOCARDIUM ORION CORPORATION (FI) 2000-10-04 EP disclosed
EP-1001774-A1 USE OF PHOSPHOLAMBAN INHIBITORS TO INCREASING CORONARY FLOW ORION CORPORATION (FI) 2000-05-24 EP disclosed
US-5968959-A ADMINISTERING PHOSPHOLAMBAN INHIBITOR ORION CORPORATION (FI) 1999-10-19 US disclosed
WO-1999030696-A1 A METHOD FOR THE PREVENTION AND TREATMENT OF STUNNED MYOCARDIUM ORION CORPORATION (FI) 1999-06-24 WO disclosed
WO-1999000132-A1 USE OF PHOSPHOLAMBAN INHIBITORS FOR INCREASING CORONARY FLOW ORION CORPORATION (FI) 1999-01-07 WO disclosed