SCHEMBL6812898

SCHEMBL6812898

OCc1ccc(OC(F)F)c(OC2CCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.56
PDE4A P27815 12/20 0.56
PDE4B Q07343 12/20 0.56
PDE4C Q08493 10/20 0.56
RECQL P46063 1/20 0.48
CSNK2A1 P68400 1/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL5761057 0.94 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CRECQL
SCHEMBL8846224 0.88 RECQL (0.55) PDE4DPDE4APDE4BPDE4CRECQL
SCHEMBL7151110 0.82 PDE4D (0.60) PDE4DPDE4APDE4BPDE4C
SCHEMBL20064269 0.82 PDE4A (0.53) PDE4DPDE4APDE4BPDE4CRECQL
SCHEMBL7418541 0.82 PDE4A (0.52) PDE4DPDE4APDE4BPDE4C
SCHEMBL2958828 0.82 RECQL (0.60) PDE4DPDE4APDE4BPDE4CRECQL
SCHEMBL1028306 0.82 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CRECQL
SCHEMBL15904183 0.80 CSNK2A1 (0.48) PDE4DPDE4APDE4BPDE4CRECQL
SCHEMBL7376963 0.79 HTT (0.52) PDE4DPDE4APDE4BPDE4CRECQL
SCHEMBL15903786 0.79 CSNK2A1 (0.47) PDE4DPDE4APDE4BPDE4CRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004016596-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS PDE-IV INHIBITORS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS LIMITED (US) 2004-02-26 WO disclosed