SCHEMBL8475654

SCHEMBL8475654

COc1ccc([C@]2(C=O)CC[C@@H](C(=O)O)CC2)cc1OC1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.71
PDE4B Q07343 19/20 0.71
PDE4C Q08493 19/20 0.71
PDE4D Q08499 19/20 0.71
POLB P06746 1/20 0.48

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
SCHEMBL7359794 1.00 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL14456043 0.90 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7362543 0.90 PDE4B (0.69) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7379237 0.88 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL8330262 0.88 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL8330265 0.88 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7181002 0.87 PDE4B (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL13790344 0.85 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL14473185 0.85 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL8344453 0.84 PDE4B (0.71) PDE4APDE4BPDE4CPDE4DPOLB

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-5863926-A 4,4-(disubstituted)cyclohexan-1-carboxylate monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-01-26 US disclosed