SCHEMBL6585599

SCHEMBL6585599

CCOC(=O)ONC(=N)COc1cc(OCC(=N)NOC(=O)OCC)c2c(C)c(Cc3ccccc3)c(=O)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
KDM4E B2RXH2 9/20 0.51
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 2/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
HPGD P15428 6/20 0.48
USP2 O75604 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PKM P14618 1/20 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
SCHEMBL6587019 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL5331232 0.74 SLC26A3 (0.60) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL5329826 0.74 KDM4E (0.68) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL6589765 0.73 KDM4E (0.52) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL5326925 0.71 KDM4E (0.60) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL5361482 0.69 KDM4E (0.61) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL5332412 0.69 KDM4E (0.66) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL5332362 0.69 KDM4E (0.66) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL6586586 0.69 KDM4E (0.49) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL5325062 0.69 KDM4E (0.59) ALDH1A1KDM4EKMT2AMEN1MAPT

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
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-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-1999015523-A1 BISETHERS OF 1-OXA, AZA AND THIANAPHTHALEN-2-ONES AS PHOSPHOLAMBAN INHIBITORS ORION CORPORATION (FI) 1999-04-01 WO disclosed