SCHEMBL7559949

SCHEMBL7559949

COc1ccc(C2CC(C#N)CCC2=O)cc1OCC1CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.52
PDE4A P27815 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 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
SCHEMBL11093631 0.89 ALDH1A1 (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL7532311 0.81 PDE4B (0.40) PDE4BPDE4APDE4CPDE4D
SCHEMBL11206268 0.75 DDB1 (0.47)
SCHEMBL8018754 0.72 ALDH1A1 (0.45)
SCHEMBL23003290 0.71 NR3C1 (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL22714032 0.70 PDE4B (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL9246926 0.69 PDE4B (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL22714051 0.69 PDE4B (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL17111303 0.68 HTR2A (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL22713929 0.68 PDE4B (1.00) PDE4B

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 7 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
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