SCHEMBL5730818

SCHEMBL5730818

COC(=O)OC1c2ccccc2Oc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 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
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ATM Q13315 1/20 0.47
PKM P14618 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
USP2 O75604 1/20 0.45
PRMT1 Q99873 1/20 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
SCHEMBL7555796 0.82 ATM (0.50) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7602479 0.82 PKM (0.47) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11728672 0.81 HDAC3 (0.47) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7561924 0.81 TSHR (0.47) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL434649 0.80 POLB (0.52) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL5731331 0.80 ATM (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7837312 0.79 ATM (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27773729 0.76 CYP2C9 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7559265 0.76 KMT2A (0.50) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1127602 0.75 MAOA (0.52) L3MBTL1HDAC3HDAC4HDAC1HDAC7

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 9 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-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-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-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-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
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