SCHEMBL6545628

SCHEMBL6545628

COc1ccc([C@]2(C#N)CC[C@@](O)(C(=O)OC)CC2)cc1OCC1CC1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.66
PDE4A P27815 18/20 0.66
PDE4C Q08493 18/20 0.66
PDE4D Q08499 18/20 0.66
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 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
SCHEMBL6545608 1.00 PDE4B (0.66) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL6545610 1.00 PDE4B (0.66) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL6546021 0.91 PDE4B (0.65) PDE4BPDE4APDE4CPDE4D
SCHEMBL6545759 0.91 PDE4B (0.66) PDE4BPDE4APDE4CPDE4D
SCHEMBL6545648 0.91 PDE4B (0.66) PDE4BPDE4APDE4CPDE4D
SCHEMBL6545650 0.91 PDE4B (0.66) PDE4BPDE4APDE4CPDE4D
SCHEMBL6546025 0.91 PDE4B (0.65) PDE4BPDE4APDE4CPDE4D
SCHEMBL6546264 0.89 PDE4B (0.65) PDE4BPDE4APDE4CPDE4D
SCHEMBL6545621 0.89 PDE4B (0.65) PDE4BPDE4APDE4CPDE4D
SCHEMBL6545618 0.89 PDE4B (0.65) 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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051172-B1 METHOD FOR TREATING COPD SMITHKLINE BEECHAM CORP (US) 2004-12-22 EP claimed
EP-1420011-A1 Compounds usefulfor treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 2004-05-19 EP claimed
EP-1380571-A1 Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 2004-01-14 EP claimed
EP-0919544-B1 Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORP (US) 2003-05-14 EP claimed
EP-1043994-A4 METHOD FOR TREATING MULTIPLE SCLEROSIS SMITHKLINE BEECHAM CORP (US) 2002-09-11 EP claimed
EP-1051172-A4 METHOD FOR TREATING COPD SMITHKLINE BEECHAM CORP (US) 2002-08-14 EP claimed
US-6369108-B1 CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD). SMITHKLINE BEECHAM CORPORATION 2002-04-09 US claimed
EP-1051172-A2 METHOD FOR TREATING COPD SMITHKLINE BEECHAM CORPORATION (US) 2000-11-15 EP claimed
EP-1043994-A1 METHOD FOR TREATING MULTIPLE SCLEROSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-10-18 EP claimed
WO-1999034797-A1 METHOD FOR TREATING MULTIPLE SCLEROSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-15 WO claimed
WO-1999034798-A1 METHOD FOR TREATING COPD SMITHKLINE BEECHAM CORPORATION (US) 1999-07-15 WO claimed
EP-0919544-A1 Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1999-06-02 EP claimed
US-5552438-A Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1996-09-03 US claimed
EP-1051172-B1 METHOD FOR TREATING COPD SMITHKLINE BEECHAM CORP (US) 2004-12-22 EP disclosed
EP-1420011-A1 Compounds usefulfor treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 2004-05-19 EP disclosed
EP-1380571-A1 Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 2004-01-14 EP disclosed
US-5552438-A Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1996-09-03 US disclosed
EP-0633776-A4 1995-01-25 EP disclosed
EP-0633776-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC AND INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1995-01-18 EP disclosed
WO-1993019749-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC AND INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-10-14 WO disclosed