SCHEMBL8996776

SCHEMBL8996776

COc1cc(-c2ccc(=O)[nH]n2)ccc1OCC(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.73
PDE4B Q07343 5/20 0.73
PDE4C Q08493 5/20 0.73
PDE4D Q08499 5/20 0.73
PDE3B Q13370 5/20 0.66
PDE3A Q14432 5/20 0.66
LMNA P02545 3/20 0.66
TP53 P04637 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
HPGD P15428 1/20 0.66
TSHR P16473 1/20 0.66
MAPK1 P28482 1/20 0.66
CYP2C19 P33261 1/20 0.66
BLM P54132 1/20 0.66
PMP22 Q01453 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
XDH P47989 4/20 0.63
DHODH Q02127 1/20 0.50
MEN1 O00255 2/20 0.48

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
SCHEMBL8996757 0.95 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10757223 0.88 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10761260 0.86 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8479743 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10761773 0.85 XDH (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8996763 0.84 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10764347 0.83 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10758080 0.83 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10761176 0.82 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10761703 0.81 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DPDE3B

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-0593567-B1 USE OF SUBSTITUTED PYRIDAZINES AGAINST DERMATOSIS BYK GULDEN LOMBERG CHEM FAB (DE) 1996-08-28 EP claimed
EP-0593567-A1 USE OF SUBSTITUTED PYRIDAZINES AGAINST DERMATOSIS. BYK GULDEN LOMBERG CHEM FAB (DE) 1994-04-27 EP claimed
WO-1993000903-A1 USE OF SUBSTITUTED PYRIDAZINES AGAINST DERMATOSIS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-01-21 WO claimed
EP-0523513-A1 Use of substituted pyridazines for the treatment of dermatoses Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1993-01-20 EP claimed
EP-0593567-B1 USE OF SUBSTITUTED PYRIDAZINES AGAINST DERMATOSIS BYK GULDEN LOMBERG CHEM FAB (DE) 1996-08-28 EP disclosed
EP-0593567-A1 USE OF SUBSTITUTED PYRIDAZINES AGAINST DERMATOSIS. BYK GULDEN LOMBERG CHEM FAB (DE) 1994-04-27 EP disclosed
WO-1993000903-A1 USE OF SUBSTITUTED PYRIDAZINES AGAINST DERMATOSIS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-01-21 WO disclosed
EP-0523513-A1 Use of substituted pyridazines for the treatment of dermatoses Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1993-01-20 EP disclosed
US-4707481-A Pyridazinones, their preparation and use, and bronchospasmolytic medicaments containing pyridazinones BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-11-17 US disclosed
EP-0125636-B1 PYRIDAZINONES, THEIR PREPARATION AND USE, MEDICINES CONTAINING THESE PYRIDAZINONES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1987-04-01 EP disclosed
WO-1984004521-A1 PYRIDAZINONES, THEIR PREPARATION AND USE, AND MEDICAMENTS CONTAINING PYRIDAZINONES BYK GULDEN LOMBERG CHEM FAB (DE) 1984-11-22 WO disclosed
EP-0125636-A1 Pyridazinones, their preparation and use, medicines containing these pyridazinones Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-11-21 EP disclosed