SCHEMBL7367183

SCHEMBL7367183

O=Cc1ccc(OC(F)F)c(OC2CC3CCC2C3)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.45
PDE4A P27815 11/20 0.45
PDE4C Q08493 11/20 0.45
PDE4D Q08499 11/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
DRD1 P21728 1/20 0.39
IRAK4 Q9NWZ3 3/20 0.37

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
SCHEMBL7288403 0.84 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7278324 0.84 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7278320 0.84 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7270844 0.84 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4637207 0.84 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7373523 0.83 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL5758960 0.80 DRD1 (0.48) PDE4BPDE4APDE4CPDE4DDRD1
SCHEMBL7364734 0.80 ALDH1A1 (0.48) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL5759440 0.79 PDE4D (0.51) PDE4BPDE4APDE4CPDE4DDRD1
SCHEMBL8688942 0.78 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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