SCHEMBL7419178

SCHEMBL7419178

O=CC1(c2ccc(OC(F)F)c(OC(F)F)c2)CCC(=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.57
PDE4A P27815 13/20 0.57
PDE4C Q08493 11/20 0.57
PDE4D Q08499 11/20 0.57
BACE1 P56817 5/20 0.31
CTSD P07339 2/20 0.31
BACE2 Q9Y5Z0 2/20 0.31
REN P00797 1/20 0.31

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
SCHEMBL31574681 0.83 PDE4B (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL6357472 0.83 PDE4B (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL7866744 0.82 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DBACE1
SCHEMBL15256620 0.78 PDE4B (0.43) PDE4BPDE4APDE4CPDE4D
SCHEMBL7416563 0.76 SLC6A4 (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL6546375 0.76 PDE4B (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL7415768 0.76 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DBACE1
SCHEMBL7460382 0.73 PDE4A (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL7423821 0.73 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL8532718 0.70 SLC6A4 (0.47) PDE4BPDE4APDE4CPDE4DBACE1

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 4 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 claimed
EP-0636025-A4 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES. 1995-02-22 EP claimed
EP-0636025-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1995-02-01 EP claimed
WO-1993019750-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-10-14 WO claimed