SCHEMBL6824111

SCHEMBL6824111

C[C@]1(C(=O)O)CC[C@](C#N)(c2ccc(OC(F)F)c(OCC3CC3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 19/20 0.52
▸ PDE4A P27815 14/20 0.52
▸ PDE4C Q08493 14/20 0.52
▸ PDE4D Q08499 14/20 0.52
▸ ABCB11 O95342 1/20 0.42
▸ PDE1C Q14123 1/20 0.41

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
SCHEMBL6817523 1.00 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL7114306 1.00 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL6197797 0.88 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL6196611 0.88 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL6196613 0.88 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL6820943 0.88 PDE4B (0.66) PDE4BPDE4APDE4CPDE4D
SCHEMBL6821339 0.88 PDE4B (0.66) PDE4BPDE4APDE4CPDE4D
SCHEMBL7119643 0.88 PDE4B (0.66) PDE4BPDE4APDE4CPDE4D
SCHEMBL7117812 0.88 PDE4B (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL6823874 0.88 PDE4B (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051172-B1 METHOD FOR TREATING COPD SMITHKLINE BEECHAM CORP (US) 2004-12-22 — — EP claimed
EP-0919544-B1 Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORP (US) 2003-05-14 — — EP claimed
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