SCHEMBL6585903

SCHEMBL6585903

CCOC(=O)CC(=O)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
KCNJ1 P48048 1/20 0.51
KCNH2 Q12809 1/20 0.51
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
MAPT P10636 5/20 0.49
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.47
KDM4E B2RXH2 2/20 0.47
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
CCR5 P51681 2/20 0.46
MITF O75030 1/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL13991528 0.88 CYP4F2 (0.64) LMNAKCNJ1KCNH2CYP4F2CYP4A11
SCHEMBL7159712 0.87 CYP4F2 (0.64) CYP4F2CYP4A11GAAKMT2A
SCHEMBL3176303 0.86 LMNA (0.63) LMNAKCNJ1KCNH2MAPTALDH1A1
SCHEMBL29179991 0.84 KMT2A (0.52) LMNAMAPTALDH1A1TSHRKDM4E
SCHEMBL7188600 0.83 MAPT (0.55) LMNAKCNJ1KCNH2CYP4F2CYP4A11
SCHEMBL3134589 0.82 CYP4F2 (0.56) LMNAKCNJ1KCNH2CYP4F2CYP4A11
SCHEMBL12290429 0.82 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1TSHRGAA
SCHEMBL27869674 0.82 ALDH1A1 (0.56) LMNAKCNJ1KCNH2CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL6988461 0.82 MAPT (0.54) LMNAKCNJ1KCNH2CYP4F2CYP4A11
SCHEMBL7056969 0.81 KCNJ1 (0.54) LMNAKCNJ1KCNH2CYP4F2CYP4A11

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 14 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
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-6046355-A TOLUENE-4-THIOSULFONIC ACID S-ESTERS AS CHEMICAL INTERMEDIATES FOR VIRICIDES AND ASPARTYL PROTEASE INHIBITORS; AIDS WARNER-LAMBERT COMPANY (US) 2000-04-04 US disclosed
EP-0935597-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1999-08-18 EP 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
US-5834506-A TREATMENT OF HIV, AIDS; ANTIVIRAL ACTIVITY IMPROVED BY JUDICIOUS PLACEMENT OF POLAR SUBSTITUENTS WARNER-LAMBERT COMPANY (US) 1998-11-10 US disclosed
WO-1998019997-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1998-05-14 WO disclosed