SCHEMBL9244307

SCHEMBL9244307

CCC1(c2ccc(OC)c(OC3CCCC3)c2)CCC(=O)CC1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.81
PDE4A P27815 19/20 0.81
PDE4C Q08493 19/20 0.81
PDE4D Q08499 19/20 0.81

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
SCHEMBL7418485 0.89 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL7422177 0.89 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL8676636 0.89 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
Butane SCHEMBL9241989 0.89 PDE4B (0.94) PDE4BPDE4APDE4CPDE4D
SCHEMBL7446699 0.81 PDE4B (0.64) PDE4BPDE4APDE4CPDE4D
SCHEMBL7423821 0.81 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL8568210 0.80 PDE4A (0.79) PDE4BPDE4APDE4CPDE4D
SCHEMBL6172991 0.80 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL5495203 0.80 PDE4A (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL7416733 0.80 PDE4B (1.00) 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
US-5449686-A Compounds useful for treating allergic or inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1995-09-12 US disclosed