SCHEMBL5731331

SCHEMBL5731331

O=C(O)OC1c2ccccc2Oc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.52
CYP2C9 P11712 2/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
KCNA3 P22001 1/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL27773729 0.84 CYP2C9 (0.47) ATMCYP2C9MAOAMAOBHDAC3
SCHEMBL7555796 0.83 ATM (0.50) ATMCYP2C9MAOAMAOBHDAC3
SCHEMBL7837312 0.83 ATM (0.50) ATMCYP2C9MAOAMAOBHDAC3
SCHEMBL5730818 0.80 L3MBTL1 (0.50) ATMCYP2C9MAOAMAOBHDAC3
SCHEMBL11728672 0.79 HDAC3 (0.47) ATMCYP2C9MAOAMAOBHDAC3
SCHEMBL7561924 0.79 TSHR (0.47) ATMCYP2C9MAOAMAOBHDAC3
SCHEMBL7596802 0.78 POLB (0.52) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL4388824 0.77 KCNA3 (0.54) ATMCYP2C9MAOAMAOBHDAC3
SCHEMBL7602479 0.76 PKM (0.47) ATMCYP2C9MAOAMAOBHDAC3
SCHEMBL7559265 0.76 KMT2A (0.50) ATMMAOAMAOBHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472250-B1 ANTICHOLINERGIC AGENTS, METHOD FOR PRODUCING THE SAME AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2014-11-26 EP disclosed
EP-1472249-B1 XANTHENE-CARBOXYLIC ACID ESTERS OF TROPENOL AND SCOPINE AS M3 ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2006-08-09 EP disclosed
EP-1185869-B1 LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER GRAFFINITY PHARMACEUTICALS AG (DE) 2006-07-26 EP disclosed
EP-1497288-B1 NOVEL ESTER HYDROXY-SUBSTITUTED NITROGEN HETEROCYCLES AS ANTAGONISTS OF THE MUSCARINIC M3 RECEPTOR, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2005-12-28 EP disclosed
EP-1517898-A1 ARYLCARBONYLPIPERAZINES AND HETEROARYLCARBONYLPIPERAZINES AND THE USE THEREOF FOR TREATING BENIGN AND MALIGNANT TUMOUR DISEASES Zentaris GmbH (DE) 2005-03-30 EP disclosed
EP-1497288-A1 NOVEL ESTER HYDROXY-SUBSTITUTED NITROGEN HETEROCYCLES AS ANTAGONISTS OF THE MUSCARINIC M3 RECEPTOR, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-01-19 EP disclosed
EP-1472250-A1 ANTICHOLINERGIC AGENTS, METHOD FOR PRODUCING THE SAME AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-11-03 EP disclosed
EP-1472249-A1 XANTHENE-CARBOXYLIC ACID ESTERS OF TROPENOL AND SCOPINE AS M3 ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-11-03 EP disclosed
WO-2004002965-A1 ARYLCARBONYLPIPERAZINES AND HETEROARYLCARBONYLPIPERAZINES AND THE USE THEREOF FOR TREATING BENIGN AND MALIGNANT TUMOUR DISEASES ZENTARIS GMBH (DE) 2004-01-08 WO disclosed
WO-2003087096-A1 NOVEL ESTER HYDROXY-SUBSTITUTED NITROGEN HETEROCYCLES AS ANTAGONISTS OF THE MUSCARINIC M3 RECEPTOR, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-23 WO disclosed
WO-2003064418-A1 ANTICHOLINERGIC AGENTS, METHOD FOR PRODUCING THE SAME AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-08-07 WO disclosed
WO-2003064417-A1 XANTHENE-CARBOXYLIC ACID ESTERS OF TROPENOL AND SCOPINE AS M3 ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-08-07 WO disclosed
EP-1259492-A1 SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-11-27 EP disclosed
EP-1185869-A2 LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER Graffinity Pharmaceutical Design GmbH (DE) 2002-03-13 EP disclosed
WO-2001047899-A1 SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO disclosed
EP-0579615-B1 NEW BI- AND TRICYCLIC AMINOALCOHOL ESTERS, THEIR PREPARATION AND THEIR USE IN MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2001-07-04 EP disclosed
WO-2000073796-A2 LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER GRAFFINITY PHARMACEUTICAL DESIGN GMBH (DE) 2000-12-07 WO disclosed
EP-0579615-A1 NEW BI- AND TRICYCLIC AMINOALCOHOL ESTERS, THEIR PREPARATION AND THEIR USE IN MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 1994-01-26 EP disclosed
WO-1992016528-A1 NEW BI- AND TRICYCLIC AMINOALCOHOL ESTERS, THEIR PREPARATION AND THEIR USE IN MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 1992-10-01 WO disclosed