SCHEMBL27558495

SCHEMBL27558495

CCC(CCC(=O)O)Cc1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.54
PDE4B Q07343 9/20 0.50
PDE4C Q08493 8/20 0.50
PDE4D Q08499 8/20 0.50

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
SCHEMBL7335293 0.81 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL7420826 0.80 PDE4A (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL27558503 0.80 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL5348988 0.79 PDE4B (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL2371289 0.79 PDE4B (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL7420229 0.78 LDHA (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL8769667 0.77 PDE4A (0.64) PDE4APDE4BPDE4CPDE4D
SCHEMBL5345029 0.77 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL5345025 0.77 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL28134189 0.77 PDE4A (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1350453-A Method for treating exercise induced asthma SMITHKLINE BEECHAM CORP (US) 2002-05-22 CN disclosed