SCHEMBL6590065

SCHEMBL6590065

CCOC(=O)COc1cc(OCC(=O)OCC)c2c(C)c(Cc3ccccc3)c(=O)n(Cc3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PLA2G2A P14555 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PLA2G10 O15496 2/20 0.41
PLA2G1B P04054 2/20 0.41
PLA2G5 P39877 2/20 0.41
PLA2G2E Q9NZK7 2/20 0.41
TSHR P16473 2/20 0.40
ABCB1 P08183 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL6586773 0.90 PLA2G2A (0.49) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL6588064 0.89 PLA2G2A (0.50) ALDH1A1KDM4EPLA2G2AMEN1KMT2A
SCHEMBL6585606 0.87 PLA2G2A (0.41) ALDH1A1POLBHPGDKDM4EPLA2G2A
SCHEMBL6587633 0.80 MAPT (0.39) ALDH1A1POLBKDM4ECYP3A4CYP2C9
SCHEMBL6585857 0.79 PDE5A (0.43) ALDH1A1PLA2G2AKMT2AMAPK1PLA2G1B
SCHEMBL3344376 0.77 PLA2G2A (0.55) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL3345462 0.77 PLA2G2A (0.45) ALDH1A1POLBHPGDKDM4ECYP2C9
SCHEMBL6585605 0.76 PLA2G10 (0.42) KDM4EPLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL6588669 0.75 TP53 (0.39) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL6586392 0.75 POLB (0.40) ALDH1A1POLBHPGDKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265421-B1 DILATATION OF ARTERIES ORION CORPORATION (FI) 2001-07-24 US claimed
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-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
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-1999015523-A1 BISETHERS OF 1-OXA, AZA AND THIANAPHTHALEN-2-ONES AS PHOSPHOLAMBAN INHIBITORS ORION CORPORATION (FI) 1999-04-01 WO disclosed
WO-1999000132-A1 USE OF PHOSPHOLAMBAN INHIBITORS FOR INCREASING CORONARY FLOW ORION CORPORATION (FI) 1999-01-07 WO disclosed