SCHEMBL7365069

SCHEMBL7365069

C#C[C@@H](CC(=O)OC)c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.60
PDE4B Q07343 12/20 0.60
PDE4C Q08493 11/20 0.60
PDE4D Q08499 11/20 0.60
POLB P06746 1/20 0.51
HIF1A Q16665 1/20 0.47

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
SCHEMBL7366942 1.00 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7367621 1.00 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7360083 0.90 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7362317 0.90 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7360077 0.90 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7363289 0.89 PDE4B (0.60) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL30530004 0.89 PDE4B (0.60) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7365302 0.83 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL7361120 0.83 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL2988958 0.83 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPOLB

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
US-6037367-A Substituted-pent-4-ynoic acids SMITHKLINE BEECHAM CORPORATION (US) 2000-03-14 US claimed
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