SCHEMBL7865357

SCHEMBL7865357

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.52
PDE4A P27815 10/20 0.52
PDE4C Q08493 10/20 0.52
PDE4D Q08499 10/20 0.52
ABCB11 O95342 1/20 0.44

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
SCHEMBL7866895 0.89 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL7858782 0.89 CASP1 (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL7415171 0.88 HSD17B10 (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL7858805 0.85 PDE4D (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL7416817 0.84 HSD17B10 (0.52)
SCHEMBL7413446 0.83 CASP1 (0.51) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL28242988 0.82 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL28279542 0.82 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL7424415 0.80 CASP1 (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL7792800 0.76 CASP1 (0.42) PDE4BPDE4APDE4CPDE4D

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