SCHEMBL6584895

SCHEMBL6584895

Cc1c(CCc2ccccc2)c(=O)oc2cc(O)cc(O)c12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.79
ALDH1A1 P00352 4/20 0.79
MAPT P10636 2/20 0.79
GAA P10253 4/20 0.56
HPGD P15428 3/20 0.56
CASP1 P29466 3/20 0.56
CASP7 P55210 3/20 0.56
HSD17B10 Q99714 3/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PGAM1 P18669 1/20 0.56
GLA P06280 2/20 0.52
HSD17B3 P37058 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ERAP1 Q9NZ08 1/20 0.52
CCR4 P51679 6/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL5325401 0.90 KDM4E (0.64) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL3786044 0.88 KDM4E (1.00) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL8745756 0.82 KDM4E (0.64) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL8745801 0.82 KDM4E (0.64) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL4706717 0.82 KDM4E (0.64) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL28646880 0.81 HSD17B3 (0.79) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL5085562 0.79 KDM4E (0.72) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL14317879 0.78 KDM4E (0.76) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL5327916 0.78 KDM4E (0.81) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL5328894 0.78 KDM4E (0.81) KDM4EALDH1A1MAPTGAAHPGD

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 8 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
CN-1143857-C Bisethers of 1-oxa, aza and thianaphthalen-2-ones as phospholamban inhibitors ���ŷ� 2004-03-31 CN 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
CN-1271357-A bisethers of 1-oxa, aza and thianaphthalen-2-ones as phospholamban inhibitors ORION CORP (FI) 2000-10-25 CN disclosed
US-5968959-A ADMINISTERING PHOSPHOLAMBAN INHIBITOR ORION CORPORATION (FI) 1999-10-19 US disclosed