SCHEMBL6589138

SCHEMBL6589138

CCOC(=O)C(Cc1cccc2ccccc12)C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.55
KMT2A Q03164 1/20 0.49
TACR1 P25103 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
CDC25B P30305 2/20 0.46
KDM4E B2RXH2 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CDC25A P30304 1/20 0.43
CDC25C P30307 1/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
MMP8 P22894 1/20 0.43
CDYL Q9Y232 1/20 0.42

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
SCHEMBL6719502 0.93 CTNNB1 (0.59) CTNNB1KMT2ATACR1ALDH1A1HPGD
SCHEMBL7322093 0.90 CTNNB1 (0.60) CTNNB1KMT2ATACR1ALDH1A1HPGD
SCHEMBL7060206 0.86 KMT2A (0.47) CTNNB1KMT2ATACR1ALDH1A1HPGD
SCHEMBL6176215 0.82 KMT2A (0.51) CTNNB1KMT2ATACR1ALDH1A1HPGD
SCHEMBL5329552 0.82 TDP1 (0.49) KMT2AALDH1A1TDP1MMP8
SCHEMBL8465002 0.81 KMT2A (0.50) CTNNB1KMT2ATACR1ALDH1A1HPGD
SCHEMBL13821887 0.81 EPHX2 (0.51) CTNNB1KMT2ATACR1ALDH1A1HPGD
SCHEMBL3936305 0.81 KMT2A (0.50) CTNNB1KMT2ATACR1ALDH1A1HPGD
SCHEMBL10389809 0.81 CTNNB1 (0.52) CTNNB1KMT2ATACR1ALDH1A1HPGD
SCHEMBL7262986 0.81 KMT2A (0.50) CTNNB1KMT2ATACR1ALDH1A1HPGD

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
EP-0180745-A1 Acylacetate and amidine intermediates for pyrimidone compounds, and their preparation YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1986-05-14 EP 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