SCHEMBL3846947

SCHEMBL3846947

CCOc1ccc(CC(C)(C)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ITGB3 P05106 3/20 0.51
ITGA2B P08514 3/20 0.51
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPRB P23467 1/20 0.47
ACP1 P24666 1/20 0.47
ACACB O00763 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL8921971 0.87 MAPT (0.50) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL8921970 0.87 MAPT (0.50) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL3843818 0.85 OPRM1 (0.52) MEN1KMT2AITGB3ITGA2BPTPN2
SCHEMBL16078350 0.83 AAK1 (0.49) MEN1KMT2AITGB3ITGA2BPTPN2
Benzene SCHEMBL8879661 0.82 ALDH1A1 (0.56) MAPTKMT2AKDM4EPTPN2PTPN1
SCHEMBL4164791 0.81 ACACB (0.54) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL4610532 0.81 CASR (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL5327317 0.80 KDM4E (0.60) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL8282485 0.80 MEN1 (0.58) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL1224023 0.78 TP53 (0.71) MAPTMEN1KMT2AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562603-B3 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES BOEHRINGER INGELHEIM PHARMA (DE) 2014-01-08 EP disclosed
EP-1765355-B1 BENZOXAZINE FOR TREATING RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INT (DE) 2013-03-06 EP disclosed
EP-1562603-B1 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES BOEHRINGER INGELHEIM PHARMA (DE) 2009-05-06 EP disclosed
EP-2025338-A1 New medicaments for the treatment of chronic ostructive pulmonary disease Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-02-18 EP disclosed
EP-1809293-A2 AEROSOL FORMULATION FOR INHALATION OF BETA AGONISTS Boehringer Ingelheim International GmbH (DE) 2007-07-25 EP disclosed
EP-1765355-A1 BENZOXAZINE FOR TREATING RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-28 EP disclosed
WO-2005110421-A2 AEROSOL FORMULATION FOR INHALATION OF BETA AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
WO-2005102350-A1 BENZOXAZINE FOR TREATING RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
EP-1562603-A2 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-08-17 EP disclosed
WO-2004045618-A2 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-03 WO disclosed