SCHEMBL525130

SCHEMBL525130

CC/C(C(=O)O)=C1/CC(c2ccc(OC)c(OC3CCCC3)c2)CN1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.64
PDE4A P27815 9/20 0.64
PDE4C Q08493 9/20 0.64
PDE4D Q08499 9/20 0.64
CYP3A4 P08684 2/20 0.64
VEGFA P15692 1/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
CYP1A2 P05177 1/20 0.64
MAPT P10636 1/20 0.64
CYP2C9 P11712 1/20 0.64
ALOX15 P16050 1/20 0.64
CREBBP Q92793 1/20 0.64
KDM4E B2RXH2 1/20 0.64
PDE5A O76074 1/20 0.64
TNF P01375 1/20 0.64
MAPK1 P28482 1/20 0.64
BLM P54132 1/20 0.64
PDE1A P54750 1/20 0.64
PDE1B Q01064 1/20 0.64

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
SCHEMBL185270 1.00 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL3632907 1.00 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL185271 1.00 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL31396386 1.00 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL31396436 1.00 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL185272 1.00 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL185567 1.00 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL185568 1.00 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL5190103 0.92 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL4373922 0.78 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2916868-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING A PDE4 INHIBITOR AND A PI3 DELTA OR DUAL PI3 DELTA-GAMMA KINASE INHIBITOR Rhizen Pharmaceuticals S.A. (CH) 2015-09-16 EP claimed
WO-2014072937-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING A PDE4 INHIBITOR AND A PI3 DELTA OR DUAL PI3 DELTA-GAMMA KINASE INHIBITOR RHIZEN PHARMACEUTICALS SA (CH) 2014-05-15 WO claimed
JP-2007500148-A 2007-01-11 JP claimed
EP-1651222-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND AN ANTICHOLINERGIC FOR TREATING RESPIRATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-03 EP claimed
EP-1651208-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND A NOVEL ANTICHOLINERGIC AND THEIR USE FOR TREATING RESPIRATORY DISORDERS Boehringer Ingelheim International GmbH (DE) 2006-05-03 EP claimed
WO-2005013993-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND AN ANTICHOLINERGIC FOR TREATING RESPIRATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-17 WO claimed
WO-2005013967-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND A NOVEL ANTICHOLINERGIC AND THEIR USE FOR TREATING RESPIRATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-17 WO claimed
EP-3039126-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-06 EP disclosed
WO-2015041809-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-26 WO disclosed
EP-2654657-A1 PACKAGINGS WITH ADSORBENT FOR MEDICINAL PRODUCTS Boehringer Ingelheim International GmbH (DE) 2013-10-30 EP disclosed
EP-2598145-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF RESPIRATORY AND INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2013-06-05 EP disclosed
WO-2012084017-A1 PACKAGINGS WITH ADSORBENT FOR MEDICINAL PRODUCTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 WO disclosed
EP-2414338-A1 SALTS AND HYDRATES OF 4-[(3-CHLOR-4-FLUORO-PHENYL)AMINO]-6-(CIS-4-{N-[(MORPH-1-OLINO-4-YL)CARBONYL]-N-METHYL-AMINO}-CYCLOHEXANE-1-YLOXY)-7-METHOXY-QUINAZOLINE, THEIR USE AS DRUGS AND THEIR PRODUCTION Boehringer Ingelheim International GmbH (DE) 2012-02-08 EP disclosed
WO-2007003554-A1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE. BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 WO disclosed
WO-2007000330-A2 METHOD AND DEVICE FOR ATOMISING LIQUID BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-04 WO disclosed
WO-2006136426-A1 NEBULISER AND CONTAINER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-28 WO disclosed
WO-2006136427-A1 NEBULISER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-28 WO disclosed
WO-2006125577-A2 NEBULISER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-30 WO disclosed
WO-2005111005-A1 NOVEL ENANTIOMERICALLY PURE BETA-AGONISTS, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A DRUG BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
WO-2005102349-A1 PHARMACEUTICAL COMBINATIONS CONTAINING BENZOXAZINE FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed