SCHEMBL7360969

SCHEMBL7360969

COc1ccc(C(C#Cc2ccccc2)CC(=O)CO)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.52
PDE4D Q08499 8/20 0.52
PDE4B Q07343 7/20 0.52
PDE4C Q08493 7/20 0.52

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
SCHEMBL7361152 0.92 PDE4A (0.52) PDE4APDE4DPDE4BPDE4C
SCHEMBL7364348 0.91 PDE4A (0.55) PDE4APDE4DPDE4BPDE4C
SCHEMBL7395213 0.91 PDE4A (0.60) PDE4APDE4DPDE4BPDE4C
SCHEMBL7365302 0.89 PDE4A (0.59) PDE4APDE4DPDE4BPDE4C
SCHEMBL7361120 0.89 PDE4A (0.59) PDE4APDE4DPDE4BPDE4C
SCHEMBL7361594 0.89 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL7395886 0.87 PDE4A (0.57) PDE4APDE4DPDE4BPDE4C
SCHEMBL7400789 0.86 PDE4A (0.50) PDE4APDE4DPDE4BPDE4C
SCHEMBL7361757 0.85 PDE4A (0.51) PDE4APDE4DPDE4BPDE4C
SCHEMBL7358879 0.85 PDE4A (0.50) PDE4APDE4DPDE4BPDE4C

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 6 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
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