SCHEMBL7532617

SCHEMBL7532617

N#CC(CCC(=O)O)(CCC(=O)O)c1ccc(OC(F)F)c(OC2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.51
PDE4A P27815 15/20 0.51
PDE4B Q07343 14/20 0.51
PDE4C Q08493 13/20 0.51
KCNH2 Q12809 1/20 0.41

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
SCHEMBL8677454 0.92 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL7858805 0.89 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL8677452 0.88 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL7792800 0.88 CASP1 (0.42) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL5703639 0.87 PDE4B (0.50) PDE4DPDE4APDE4BPDE4C
SCHEMBL7866895 0.84 PDE4B (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL7421932 0.81 CASP1 (0.53) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL5498121 0.80 PDE4B (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL5498116 0.79 PDE4B (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL27617802 0.79 PDE4B (0.46) PDE4DPDE4APDE4BPDE4C

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 5 patents. 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 disclosed
US-5449686-A Compounds useful for treating allergic or inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1995-09-12 US disclosed
EP-0636025-A4 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES. 1995-02-22 EP disclosed
EP-0636025-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1995-02-01 EP disclosed
WO-1993019750-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-10-14 WO disclosed