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Sugi Predict / Compounds / SCHEMBL8510077

SCHEMBL8510077

SCHEMBL8510077

COC(=O)c1cccc(C#CC2(c3ccc(OC)c(OC4CCCC4)c3)CCC(=O)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 19/20 0.61
▸ PDE4B Q07343 19/20 0.61
▸ PDE4C Q08493 19/20 0.61
▸ PDE4D Q08499 19/20 0.61

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
SCHEMBL8507963 0.93 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL7379788 0.92 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL6176170 0.91 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL8510024 0.91 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL7413457 0.87 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL7377710 0.87 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL7380316 0.86 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL7373876 0.85 PDE4A (0.71) PDE4APDE4BPDE4CPDE4D
SCHEMBL7368647 0.85 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL8510031 0.85 PDE4A (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5861421-A 4,4-(disubstituted) cyclohexan-1-one monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-01-19 — — US claimed
US-5861421-A 4,4-(disubstituted) cyclohexan-1-one monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-01-19 — — US disclosed