SCHEMBL6587952

SCHEMBL6587952

Cc1c(C2CCCC2)c(=O)oc2cc(O)cc(O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 9/20 0.51
CLK2 P49760 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 2/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
CA9 Q16790 1/20 0.47
NUAK1 O60285 2/20 0.46
IGF1R P08069 2/20 0.46
PIM1 P11309 2/20 0.46
SRC P12931 2/20 0.46
KDR P35968 2/20 0.46

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
SCHEMBL3782322 0.78 CLK2 (0.63) CCR4CLK2ALDH1A1KDM4EMAPT
SCHEMBL12636901 0.77 MGAM (0.51) CCR4CLK2ALDH1A1KDM4EMAPT
SCHEMBL27946172 0.75 CCR4 (0.51) CCR4CLK2ALDH1A1KDM4EMAPT
SCHEMBL3775913 0.73 HSD17B3 (0.58) CCR4CLK2ALDH1A1KDM4EMAPT
SCHEMBL3784810 0.72 ALDH1A1 (0.54) CCR4CLK2ALDH1A1KDM4EMAPT
SCHEMBL3780427 0.71 ALDH1A1 (0.53) CCR4CLK2ALDH1A1KDM4EMAPT
SCHEMBL27946161 0.71 CCR4 (0.79) CCR4
SCHEMBL12378907 0.70 GAA (0.54) CCR4CLK2ALDH1A1KDM4EMAPT
SCHEMBL8745756 0.69 KDM4E (0.64) CCR4CLK2ALDH1A1KDM4EMAPT
SCHEMBL8745801 0.69 KDM4E (0.64) CCR4CLK2ALDH1A1KDM4EMAPT

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 12 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
EP-1039884-A1 A METHOD FOR THE PREVENTION AND TREATMENT OF STUNNED MYOCARDIUM ORION CORPORATION (FI) 2000-10-04 EP disclosed
EP-1017691-A1 BISETHERS OF 1-OXA, AZA AND THIANAPHTHALEN-2-ONES AS PHOSPHOLAMBAN INHIBITORS ORION CORPORATION (ORION-YHTYMA OY) (FI) 2000-07-12 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-1999015523-A1 BISETHERS OF 1-OXA, AZA AND THIANAPHTHALEN-2-ONES AS PHOSPHOLAMBAN INHIBITORS ORION CORPORATION (FI) 1999-04-01 WO disclosed