SCHEMBL7361683

SCHEMBL7361683

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

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.46
PDE4D Q08499 8/20 0.45
PDE4B Q07343 8/20 0.45
PDE4C Q08493 7/20 0.45

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
SCHEMBL7366352 0.91 PDE4A (0.47) PDE4APDE4DPDE4BPDE4C
SCHEMBL7357778 0.90 PDE4A (0.46) PDE4APDE4DPDE4BPDE4C
SCHEMBL7365087 0.90 PDE4A (0.47) PDE4APDE4DPDE4BPDE4C
SCHEMBL7358733 0.87 PDE4A (0.42) PDE4APDE4DPDE4BPDE4C
SCHEMBL8032623 0.87 PDE4A (0.46) PDE4APDE4DPDE4BPDE4C
SCHEMBL7363957 0.85 PDE4A (0.46) PDE4APDE4DPDE4BPDE4C
SCHEMBL7361113 0.84 PDE4A (0.43) PDE4APDE4DPDE4BPDE4C
SCHEMBL7359448 0.83 PDE4A (0.47) PDE4APDE4DPDE4BPDE4C
SCHEMBL7361034 0.83 PDE4A (0.46) PDE4APDE4DPDE4BPDE4C
SCHEMBL7364296 0.82 PDE4A (0.53) 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