SCHEMBL6582253

SCHEMBL6582253

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPT P10636 2/20 0.57
HPGD P15428 4/20 0.53
POLB P06746 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TTR P02766 1/20 0.41
IDH1 O75874 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
HSD17B3 P37058 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SHBG P04278 1/20 0.39
HTT P42858 3/20 0.39
TP53 P04637 1/20 0.39
DAO P14920 1/20 0.38

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
SCHEMBL6587073 0.85 KDM4E (0.55) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL6585846 0.79 ALDH1A1 (0.49) KDM4EALDH1A1MAPTPOLBMEN1
SCHEMBL6585612 0.74 TRPC5 (0.44) KDM4EALDH1A1HPGDPOLBKMT2A
SCHEMBL6584377 0.74 ALDH1A1 (0.46) KDM4EALDH1A1MAPTPOLBMEN1
SCHEMBL6586738 0.74 ALDH1A1 (0.43) KDM4EALDH1A1MAPTPOLBMEN1
SCHEMBL3344022 0.73 PLA2G1B (0.49) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL3786044 0.73 KDM4E (1.00) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL6584194 0.73 ALDH1A1 (0.58) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL278266 0.68 ALOX5 (0.59) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL16010609 0.68 LMNA (0.53) KDM4EALDH1A1MAPTIDH1LMNA

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
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