SCHEMBL3890644

SCHEMBL3890644

CC1(OC(=O)O)c2ccccc2Oc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.38
P2RX4 Q99571 6/20 0.38
CHRM3 P20309 3/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CYP2C9 P11712 1/20 0.34
AKR1B1 P15121 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL27712213 0.86 ALDH1A1 (0.39) ALOX5P2RX4CHRM3CYP2C9
SCHEMBL18826294 0.83 ELANE (0.37) ALOX5P2RX4CHRM3
SCHEMBL5731715 0.83 P2RX4 (0.42) ALOX5P2RX4
SCHEMBL9610546 0.80 ELANE (0.39) ALOX5P2RX4CHRM3CHRM2CHRM1
SCHEMBL3641456 0.80 ALOX5 (0.39) ALOX5P2RX4CHRM3CHRM2CHRM1
SCHEMBL3633870 0.79 THRB (0.48)
SCHEMBL1861404 0.78 KMT2A (0.36) ALOX5P2RX4CHRM3CHRM2CHRM1
SCHEMBL4596649 0.77 ALOX5 (0.37) ALOX5P2RX4CHRM3CHRM2CHRM1
SCHEMBL523847 0.76 ALOX5 (0.41) ALOX5P2RX4CHRM3CHRM2CHRM1
SCHEMBL28940501 0.75 POLB (0.39) ALOX5P2RX4

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 15 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
CN-104024244-A Heterocyclic compounds, medicaments containing said compounds, their use and processes for their preparation BOEHRINGER INGELHEIM INT 2014-09-03 CN disclosed
EP-2010185-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS Boehringer Ingelheim International GmbH (DE) 2009-01-07 EP disclosed
EP-1877376-A1 NOVEL COMPOUNDS FOR TREATING INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2008-01-16 EP disclosed
EP-1874781-A1 DIHYDROTHIENOPYRIMIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2008-01-09 EP disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 WO disclosed
EP-1827541-A1 BLISTER FOR INHALERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-05 EP disclosed
WO-2006114371-A1 NOVEL COMPOUNDS FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-02 WO disclosed
WO-2006111549-A1 DIHYDROTHIENOPYRIMIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-26 WO 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
WO-2006045715-A1 BLISTER FOR INHALERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-04 WO 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-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