Sugi Predict

Sugi Predict / Compounds / SCHEMBL8557981

SCHEMBL8557981

SCHEMBL8557981

COc1ccc(C2(C#CC#CC3(c4ccc(OC)c(OC5CCCC5)c4)CCCC(=O)C3)CCCC(=O)C2)cc1OC1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 20/20 0.66
▸ PDE4B Q07343 20/20 0.66
▸ PDE4C Q08493 20/20 0.66
▸ PDE4D Q08499 20/20 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
SCHEMBL7470382 0.94 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL7417885 0.89 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL7327112 0.89 PDE4A (0.80) PDE4APDE4BPDE4CPDE4D
SCHEMBL7426818 0.89 PDE4B (0.80) PDE4APDE4BPDE4CPDE4D
SCHEMBL8568210 0.89 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL6171637 0.88 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL8388219 0.88 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL7420421 0.86 PDE4A (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL6172169 0.84 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL6171456 0.84 PDE4A (0.56) 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-5795918-A 1,3,3-(Trisubstituted)cyclohex-1-ene dimers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1998-08-18 — — US disclosed
US-5767151-A 3,3-(disubstituted) cyclohexan-1-ylidine acetate dimers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1998-06-16 — — US disclosed