SCHEMBL7366340

SCHEMBL7366340

COc1ccc(C=C(C(=O)O)C(=O)O)cc1OC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.56
PDE4A P27815 8/20 0.56
PDE4C Q08493 8/20 0.56
PDE4D Q08499 8/20 0.56
GAA P10253 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 1/20 0.52
PDE3A Q14432 1/20 0.51

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
SCHEMBL7938329 0.94 GAA (0.60) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL5351545 0.88 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL5351550 0.88 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7379306 0.88 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7379302 0.88 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7379304 0.88 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7435309 0.85 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL5363123 0.84 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL5363118 0.84 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL7416129 0.84 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPOLB

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-0542795-B1 TNF INHIBITORS SMITHKLINE BEECHAM CORP (US) 1998-01-07 EP disclosed
US-5547979-A TNF inhibition SMITHKLINE BEECHAM (US) 1996-08-20 US disclosed
US-5420154-A ADMINISTERING A 2-PYRROLIDINONE DERIVATIVE TO AN ANIMAL SUFFERING FROM A TUMOR NECROSIS FACTOR MEDIATED DISEASE SMITHKLINE BEECHAM CORP. (US) 1995-05-30 US disclosed
EP-0584208-A4 1994-03-23 EP disclosed
EP-0584208-A1 PYRROLIDINONES SMITHKLINE BEECHAM CORPORATION (US) 1994-03-02 EP disclosed
EP-0542795-A1 TNF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-05-26 EP disclosed
WO-1992019594-A1 PYRROLIDINONES SMITHKLINE BEECHAM CORPORATION (US) 1992-11-12 WO disclosed
WO-1992002220-A1 TNF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1992-02-20 WO disclosed