SCHEMBL1389102

SCHEMBL1389102

COc1ccc(CCc2c(Cl)cncc2Cl)cc1OC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.56
PDE4B Q07343 11/20 0.56
PDE4D Q08499 10/20 0.56
PDE4C Q08493 9/20 0.56
CSNK2A1 P68400 2/20 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
SCHEMBL15753277 0.85 PDE4D (0.55) PDE4D
SCHEMBL7320539 0.81 PDE4B (0.47) PDE4APDE4BPDE4DPDE4CCSNK2A1
SCHEMBL7380332 0.81 PDE4A (0.53) PDE4APDE4BPDE4DPDE4CCSNK2A1
SCHEMBL6889304 0.81 PDE4A (0.63) PDE4APDE4BPDE4DPDE4C
SCHEMBL7374625 0.81 PDE4A (0.52) PDE4APDE4BPDE4DPDE4CCSNK2A1
Hydrochloric Acid SCHEMBL6887553 0.80 PDE4A (0.62) PDE4APDE4BPDE4DPDE4C
SCHEMBL984917 0.80 PDE4D (0.57) PDE4APDE4BPDE4DPDE4C
SCHEMBL6858739 0.80 PDE4A (0.55) PDE4APDE4BPDE4DPDE4C
SCHEMBL8436326 0.79 PDE4A (0.60) PDE4APDE4BPDE4DPDE4C
SCHEMBL7360254 0.78 PDE4D (0.54) PDE4APDE4BPDE4DPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640065-B1 TRISUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 2001-10-17 EP claimed
JP-H08505158-A 1996-06-04 JP claimed
EP-0640065-A1 TRISUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1995-03-01 EP claimed
WO-1994020446-A1 TRISUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1994-09-15 WO claimed
EP-0640065-B1 TRISUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 2001-10-17 EP disclosed