SCHEMBL7869820

SCHEMBL7869820

COC1(OC)CCC(C#N)(c2ccc(OC(F)F)c(OC(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.47
PDE4B Q07343 19/20 0.47
PDE4C Q08493 19/20 0.47
PDE4D Q08499 19/20 0.47
KMT2A Q03164 1/20 0.38

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
SCHEMBL31574699 0.88 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL6360155 0.88 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7786813 0.84 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7792692 0.84 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7420776 0.84 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL6546375 0.81 PDE4B (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL6823874 0.80 PDE4B (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL6821428 0.80 PDE4B (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL7117812 0.80 PDE4B (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL7425652 0.80 PDE4A (0.69) 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