SCHEMBL7869812

SCHEMBL7869812

COc1ccc(C2(C(N)=O)CCC(OC)(OC)CC2)cc1OC1CCCC1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.76
PDE4D Q08499 15/20 0.76
PDE4A P27815 14/20 0.76
PDE4C Q08493 14/20 0.76
LMNA P02545 1/20 0.60
MAPK14 Q16539 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL7416733 0.86 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL6322995 0.85 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL6322447 0.85 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL6323001 0.85 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL7858785 0.80 PDE4B (0.73) PDE4BPDE4DPDE4APDE4C
SCHEMBL7864287 0.80 PDE4B (0.75) PDE4BPDE4DPDE4APDE4C
SCHEMBL7420740 0.80 PDE4A (0.66) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL7858810 0.78 PDE4B (0.73) PDE4BPDE4DPDE4APDE4C
SCHEMBL7858781 0.78 PDE4A (0.73) PDE4BPDE4DPDE4APDE4C
SCHEMBL7869861 0.78 PDE4B (0.73) PDE4BPDE4DPDE4APDE4C

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
EP-0636025-B1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORP (US) 2001-07-18 EP claimed