SCHEMBL6758010

SCHEMBL6758010

COc1ccc(C(C)(c2ccncc2)c2ccccc2OC)cc1OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.51
PDE4D Q08499 5/20 0.50
PDE4B Q07343 3/20 0.50
PDE4C Q08493 3/20 0.50
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
EPHX2 P34913 1/20 0.44

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
SCHEMBL7486451 0.90 PDE4A (0.55) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL6882236 0.82 PDE4A (0.55) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL7914725 0.80 PDE4A (0.54) PDE4APDE4DPDE4BPDE4C
SCHEMBL6886585 0.76 PDE4A (0.45) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL7845534 0.75 PDE4A (0.56) PDE4APDE4DPDE4BPDE4C
SCHEMBL8770460 0.74 PDE4A (0.55) PDE4APDE4DPDE4BPDE4C
SCHEMBL7314363 0.73 PDE4A (0.54) PDE4APDE4DPDE4BPDE4C
SCHEMBL8567868 0.73 PDE4A (0.58) PDE4APDE4DPDE4BPDE4C
SCHEMBL6508090 0.73 PDE4A (0.58) PDE4APDE4DPDE4BPDE4C
SCHEMBL7907839 0.72 PDE4A (0.44) PDE4APDE4DPDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3581713-B2 2004-10-27 JP claimed
EP-0626939-B1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2001-11-07 EP claimed
EP-0626939-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1994-12-07 EP claimed
WO-1994014742-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH LIMITED (GB) 1994-07-07 WO claimed
EP-0626939-B1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2001-11-07 EP disclosed
US-5622977-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS CELLTECH THERAPEUTICS LIMITED (GB) 1997-04-22 US disclosed
EP-0626939-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1994-12-07 EP disclosed
WO-1994014742-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH LIMITED (GB) 1994-07-07 WO disclosed