SCHEMBL7119643

SCHEMBL7119643

COc1ccc(C2(C#N)CCC(C)(C(=O)O)CC2)cc1OCC1CC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.66
PDE4A P27815 19/20 0.66
PDE4C Q08493 19/20 0.66
PDE4D Q08499 19/20 0.66

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
SCHEMBL6820943 1.00 PDE4B (0.66) PDE4BPDE4APDE4CPDE4D
SCHEMBL6821339 1.00 PDE4B (0.66) PDE4BPDE4APDE4CPDE4D
SCHEMBL6545648 0.90 PDE4B (0.66) PDE4BPDE4APDE4CPDE4D
SCHEMBL6545650 0.90 PDE4B (0.66) PDE4BPDE4APDE4CPDE4D
SCHEMBL6545759 0.90 PDE4B (0.66) PDE4BPDE4APDE4CPDE4D
SCHEMBL6546953 0.89 PDE4B (0.65) PDE4BPDE4APDE4CPDE4D
SCHEMBL6546234 0.89 PDE4B (0.65) PDE4BPDE4APDE4CPDE4D
SCHEMBL6546232 0.89 PDE4B (0.65) PDE4BPDE4APDE4CPDE4D
SCHEMBL6546903 0.88 PDE4B (0.76) PDE4BPDE4APDE4CPDE4D
SCHEMBL6546469 0.88 PDE4B (0.76) PDE4BPDE4APDE4CPDE4D

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-0919544-B1 Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORP (US) 2003-05-14 EP claimed