SCHEMBL6546061

SCHEMBL6546061

COc1ccc([C@]2(C#N)CC[C@H](C(=O)OC)CC2)cc1O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.57
PDE4A P27815 18/20 0.57
PDE4C Q08493 18/20 0.57
PDE4D Q08499 18/20 0.57
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6546065 1.00 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL5525607 0.89 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL5525606 0.89 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL5525610 0.89 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL6546052 0.83 PDE4B (0.82) PDE4BPDE4APDE4CPDE4D
SCHEMBL6546406 0.83 PDE4B (0.82) PDE4BPDE4APDE4CPDE4D
SCHEMBL6546049 0.83 PDE4B (0.82) PDE4BPDE4APDE4CPDE4D
SCHEMBL16730939 0.83 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL6546827 0.82 PDE4B (0.67) PDE4BPDE4APDE4CPDE4D
SCHEMBL6546876 0.82 PDE4B (0.67) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0919544-B1 Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORP (US) 2003-05-14 EP disclosed
EP-0633776-B1 COMPOUNDS USEFUL FOR TREATING ALLERGIC AND INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORP (US) 2001-05-09 EP disclosed
EP-0919544-A1 Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1999-06-02 EP disclosed
US-5643946-A Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-07-01 US disclosed
US-5614540-A Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-03-25 US disclosed
US-5552438-A Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1996-09-03 US disclosed