SCHEMBL3633870

SCHEMBL3633870

CC1(OC(=O)O)c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
APEX1 P27695 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
ITGA4 P13612 1/20 0.41
KMT2A Q03164 2/20 0.37
PDK2 Q15119 6/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PGR P06401 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35

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
SCHEMBL6154693 0.81 MAPT (0.46) THRBTDP1APEX1ALDH1A1MAPT
SCHEMBL3890644 0.79 ALOX5 (0.38)
SCHEMBL19335310 0.79 THRB (0.40) THRBTDP1APEX1ALDH1A1MAPT
SCHEMBL2774493 0.78 ELANE (0.41) THRBTDP1APEX1ALDH1A1MAPT
SCHEMBL987799 0.78 THRB (0.55) THRBTDP1APEX1ALDH1A1MAPT
SCHEMBL28089194 0.76 THRB (0.48) THRBTDP1APEX1ALDH1A1MAPT
SCHEMBL13126124 0.74 ALDH1A1 (0.38) THRBTDP1APEX1ALDH1A1MAPT
SCHEMBL28550784 0.74 PDK2 (0.41) THRBTDP1APEX1ALDH1A1MAPT
SCHEMBL14135112 0.73 PDK2 (0.39) THRBTDP1APEX1ALDH1A1MAPT
SCHEMBL24845694 0.73 PDK2 (0.48) THRBTDP1ALDH1A1MAPTITGA4

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106163517-B Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2020-08-14 CN disclosed
CN-110840847-A Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2020-02-28 CN disclosed
CN-106279110-A Heterocyclic compound, medicine containing described compound and application thereof and its preparation method 勃林格殷格翰国际有限公司 2017-01-04 CN disclosed
CN-104024244-B Heterocyclic compounds, medicaments containing said compounds, their use and processes for their preparation 勃林格殷格翰国际有限公司 2016-09-14 CN 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-2215092-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP disclosed
EP-2215093-A1 NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP disclosed
EP-2214673-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP disclosed
EP-2205609-A2 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2010-07-14 EP disclosed
EP-2179272-A1 OPTICAL FILLING CONTROL OF PHARMACEUTICAL CAPSULES IN CAPSULE FILLING MACHINES Boehringer Ingelheim International GmbH (DE) 2010-04-28 EP disclosed
EP-1997819-A1 Method for manufacturing scopinium esters Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-12-03 EP disclosed
EP-1941263-A1 OPTICAL SEMI-QUANTITATIVE 100 % FILLING CHECK OF PHARMACEUTICAL CAPSULES ON CAPSULE FILLING MACHINES Boehringer Ingelheim International GmbH (DE) 2008-07-09 EP disclosed
WO-2008061873-A2 STABLE POWDER FORMULATION CONTAINING A NOVEL ANTICHOLINERGIC AGENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO disclosed
WO-2007134968-A1 INHALANT AEROSOL FORMULATIONS CONTAINING ETHANOL BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-29 WO disclosed
WO-2007134966-A1 INHALANT PROPELLANT-FREE AEROSOL FORMULATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-29 WO disclosed
WO-2007045670-A1 OPTICAL SEMI-QUANTITATIVE 100 % FILLING CHECK OF PHARMACEUTICAL CAPSULES ON CAPSULE FILLING MACHINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-26 WO disclosed
EP-1561751-A1 Fluorene carboxylic acid esters, methods for the production thereof, and use of the same as pharmaceuticals Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-08-10 EP disclosed
EP-1472251-B1 NOVEL FLUORENE CARBOXYLIC ACID ESTERS, METHODS FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS PHARMACEUTICALS BOEHRINGER INGELHEIM PHARMA (DE) 2005-07-20 EP disclosed
EP-1472251-A1 NOVEL FLUORENE CARBOXYLIC ACID ESTERS, METHODS FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS PHARMACEUTICALS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-11-03 EP disclosed
WO-2003064419-A1 NOVEL FLUORENE CARBOXYLIC ACID ESTERS, METHODS FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS PHARMACEUTICALS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-08-07 WO disclosed