SCHEMBL7733947

SCHEMBL7733947

COc1ccc(Cc2nc3cc(Cl)cc(Br)c3o2)cc1OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.43
PDE4B Q07343 5/20 0.42
SSTR5 P35346 1/20 0.42
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL3615395 0.91 PDE4B (0.46) PDE4APDE4BSSTR5PDE4CPDE4D
SCHEMBL8326223 0.89 PDE4B (0.44) PDE4APDE4BSSTR5PDE4CPDE4D
SCHEMBL7724860 0.88 ALDH1A1 (0.47) ALDH1A1POLBMAPTTSHRRAB9A
SCHEMBL7724896 0.86 PDE4A (0.47) PDE4APDE4BSSTR5ALDH1A1POLB
SCHEMBL7735218 0.86 PDE4A (0.42) PDE4APDE4BSSTR5ALDH1A1POLB
SCHEMBL7733871 0.85 RECQL (0.41) PDE4APDE4BSSTR5PDE4CPDE4D
SCHEMBL8354246 0.85 PDE4A (0.41) PDE4APDE4BSSTR5RAB9APDE4C
SCHEMBL7733965 0.84 PDE4B (0.41) PDE4APDE4BSSTR5PDE4CPDE4D
SCHEMBL7734722 0.84 PDE4A (0.41) PDE4APDE4BSSTR5ALDH1A1PDE4C
SCHEMBL7733932 0.84 PDE4A (0.42) PDE4APDE4BMAPTPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP claimed
US-5665737-A PHOSPHODIESTERASE INHIBITORS EURO-CELTIQUE, S.A. (LU) 1997-09-09 US claimed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP claimed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO claimed
EP-2193808-A1 Synergistic combination Nycomed GmbH (DE) 2010-06-09 EP disclosed
EP-1849468-A2 Pharmaceutical composition of a pde4 or a pde3/4 inhibitor and a histamine receptor antagonist Nycomed GmbH (DE) 2007-10-31 EP disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US disclosed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
US-5665737-A PHOSPHODIESTERASE INHIBITORS EURO-CELTIQUE, S.A. (LU) 1997-09-09 US disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed