SCHEMBL7363850

SCHEMBL7363850

COc1ccc(C(C#N)C(=O)O)cc1OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.53
PDE4B Q07343 14/20 0.53
PDE4C Q08493 13/20 0.53
PDE4D Q08499 13/20 0.53
POLB P06746 1/20 0.49

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
SCHEMBL7351927 0.90 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7358687 0.89 POLB (0.51) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL8590946 0.85 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
Acetic Acid SCHEMBL2459347 0.83 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL11428703 0.82 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL5047781 0.81 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7322576 0.81 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL7325901 0.80 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL30530004 0.79 PDE4B (0.60) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7363289 0.79 PDE4B (0.60) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538384-A4 OXAMIDES SMITHKLINE BEECHAM CORP (US) 1995-04-12 EP disclosed
US-5393788-A Phenylalkyl oxamides SMITHKLINE BEECHAM CORPORATION (US) 1995-02-28 US disclosed
EP-0538384-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-28 EP disclosed
WO-1992000968-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-23 WO disclosed