SCHEMBL7364684

SCHEMBL7364684

COC(=O)c1ccc(OC2CCCC2)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.60
PDE4B Q07343 11/20 0.60
PDE4A P27815 10/20 0.60
PDE4C Q08493 10/20 0.60
PDE5A O76074 1/20 0.60
MAPT P10636 1/20 0.59
MAPK14 Q16539 1/20 0.57

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
SCHEMBL16544973 0.97 MAPT (0.59) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL5309884 0.94 PDE4D (0.67) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL16544967 0.94 MAPT (0.62) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL8888177 0.89 CYP2D6 (0.61) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL18031253 0.88 MAPT (0.53) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL15595474 0.87 PDE4D (0.70) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL6799815 0.87 PDE4B (0.71) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL7384113 0.87 PDE4B (0.62) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL6799389 0.86 HSD17B2 (0.58) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL20021951 0.85 PDE4B (0.54) PDE4DPDE4BPDE4APDE4CPDE5A

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
US-5814651-A PHOSPHODIESTERASE TYPE FOUR INHIBITORS PFIZER INC. (US) 1998-09-29 US disclosed
US-5563143-A ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISORDERS PFIZER INC. (US) 1996-10-08 US disclosed
EP-0706795-A2 Catechol diether compounds as inhibitors of TNF release PFIZER INC. (US) 1996-04-17 EP disclosed
EP-0672031-A1 CATECHOL DIETHERS AS SELECTIVE PDE IV? INHIBITORS PFIZER INC. (US) 1995-09-20 EP disclosed
WO-1994012461-A1 CATECHOL DIETHERS AS SELECTIVE PDEIV INHIBITORS PFIZER INC. (US) 1994-06-09 WO disclosed