SCHEMBL7360083

SCHEMBL7360083

C#CC(CC(=O)O)c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.59
PDE4B Q07343 8/20 0.59
PDE4C Q08493 8/20 0.59
PDE4D Q08499 8/20 0.59
FFAR1 O14842 1/20 0.52
POLB P06746 1/20 0.49
HIF1A Q16665 1/20 0.48

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
SCHEMBL7362317 1.00 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DFFAR1
SCHEMBL7360077 1.00 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DFFAR1
SCHEMBL7366942 0.90 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7365069 0.90 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7367621 0.90 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL3181116 0.84 PDE4A (0.65) PDE4APDE4BPDE4CPDE4D
SCHEMBL7395213 0.84 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DFFAR1
SCHEMBL7999614 0.83 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL2995451 0.82 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL6885590 0.81 PDE4A (0.71) PDE4APDE4BPDE4CPDE4D

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-0827495-A4 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORP (US) 1998-11-04 EP claimed
EP-0827495-A1 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-11 EP claimed
WO-1997003945-A1 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-06 WO claimed
US-6037367-A Substituted-pent-4-ynoic acids SMITHKLINE BEECHAM CORPORATION (US) 2000-03-14 US disclosed
EP-0827495-A4 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORP (US) 1998-11-04 EP disclosed
EP-0827495-A1 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-11 EP disclosed
WO-1997003945-A1 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-06 WO disclosed