SCHEMBL7359443

SCHEMBL7359443

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

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.49
PDE4D Q08499 11/20 0.47
PDE4B Q07343 10/20 0.47
PDE4C Q08493 10/20 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
SCHEMBL7361991 0.94 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL7358660 0.91 PDE4A (0.47) PDE4APDE4DPDE4BPDE4C
SCHEMBL7358728 0.90 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL7357871 0.90 PDE4A (0.51) PDE4APDE4DPDE4BPDE4C
SCHEMBL7363382 0.89 PDE4A (0.50) PDE4APDE4DPDE4BPDE4C
SCHEMBL7358879 0.89 PDE4A (0.50) PDE4APDE4DPDE4BPDE4C
SCHEMBL7361030 0.89 PDE4A (0.47) PDE4APDE4DPDE4BPDE4C
SCHEMBL7364348 0.88 PDE4A (0.55) PDE4APDE4DPDE4BPDE4C
Sulfamic Acid Cyclohexyl Ester SCHEMBL7366020 0.87 PDE4A (0.44) PDE4APDE4DPDE4BPDE4C
SCHEMBL7357772 0.86 PDE4A (0.47) 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 3 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 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