SCHEMBL6586773

SCHEMBL6586773

Cc1c(Cc2ccccc2)c(=O)n(Cc2ccccc2)c2cc(OCC(=O)O)cc(OCC(=O)O)c12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 15/20 0.49
PLA2G1B P04054 8/20 0.49
PLA2G10 O15496 5/20 0.49
PLA2G5 P39877 5/20 0.49
PLA2G2E Q9NZK7 5/20 0.49
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
EGLN1 Q9GZT9 3/20 0.42
PLA2G2F Q9BZM2 2/20 0.41
PLA2G2D Q9UNK4 2/20 0.41
PLA2G6 O60733 1/20 0.41
PLA2G2C Q5R387 1/20 0.41
PLA2G12B Q9BX93 1/20 0.41
PLA2G12A Q9BZM1 1/20 0.41
PLA2G3 Q9NZ20 1/20 0.41

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
SCHEMBL6588064 0.92 PLA2G2A (0.50) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6585606 0.90 PLA2G2A (0.41) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6590065 0.90 ALDH1A1 (0.48) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL3344376 0.86 PLA2G2A (0.55) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6587633 0.83 MAPT (0.39) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6585857 0.82 PDE5A (0.43) PLA2G2APLA2G1B
SCHEMBL6585605 0.79 PLA2G10 (0.42) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6588669 0.78 TP53 (0.39) THRB
SCHEMBL3344022 0.78 PLA2G1B (0.49) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6586392 0.78 POLB (0.40)

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