SCHEMBL7869823

SCHEMBL7869823

COc1c(F)cc(C2(C#N)CCC(=O)CC2)c(F)c1OCC1CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.39
PDE4B Q07343 5/20 0.39
PDE4C Q08493 5/20 0.39
PDE4D Q08499 5/20 0.39
FGFR1 P11362 1/20 0.30
FGFR4 P22455 1/20 0.30
FGFR3 P22607 1/20 0.30

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
SCHEMBL1344288 0.83 PSEN1 (0.36) PDE4APDE4BPDE4CPDE4D
SCHEMBL7387551 0.70 PDE4B (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL14482440 0.68 PDE4A (0.36) PDE4APDE4BPDE4CPDE4D
SCHEMBL28879187 0.65 FFAR4 (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL27735651 0.65 FFAR4 (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL5306792 0.65 PDE4B (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL27600726 0.64 SYK (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL28332625 0.63 ADRA2A (0.35) PDE4B
SCHEMBL7963641 0.63 PSEN1 (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL2290555 0.62 PDE4B (0.63) PDE4APDE4BPDE4CPDE4D

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
EP-0636025-B1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORP (US) 2001-07-18 EP claimed