SCHEMBL7866895

SCHEMBL7866895

N#CC(CCC(=O)O)(CCC(=O)O)c1ccc(OC(F)F)c(OCC2CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.49
PDE4D Q08499 13/20 0.49
PDE4A P27815 11/20 0.49
PDE4C Q08493 11/20 0.49
ABCB11 O95342 1/20 0.43

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
SCHEMBL7865357 0.89 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7792800 0.87 CASP1 (0.42) PDE4BPDE4DPDE4APDE4C
SCHEMBL7424415 0.86 CASP1 (0.50) PDE4BPDE4DPDE4APDE4C
SCHEMBL7413446 0.85 CASP1 (0.51) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7532617 0.84 PDE4D (0.51) PDE4BPDE4DPDE4APDE4C
SCHEMBL28279542 0.82 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7421932 0.81 CASP1 (0.53) PDE4BPDE4DPDE4APDE4C
SCHEMBL28242988 0.79 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7858782 0.77 CASP1 (0.49) PDE4BPDE4DPDE4APDE4C
SCHEMBL8677454 0.77 PDE4D (0.46) 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 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 disclosed
US-5811455-A Compounds useful for treating allergic or inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1998-09-22 US disclosed
US-5631286-A Compounds useful for treating allergic or inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-05-20 US disclosed
US-5449686-A Compounds useful for treating allergic or inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1995-09-12 US disclosed