SCHEMBL7364665

SCHEMBL7364665

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.48
PDE4A P27815 7/20 0.47
PDE4C Q08493 7/20 0.47
PDE4D Q08499 7/20 0.47
PDE5A O76074 1/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE1C Q14123 1/20 0.46
CTSK P43235 1/20 0.45
EPHX2 P34913 2/20 0.44

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
SCHEMBL7366560 0.87 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL7362566 0.87 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL7365287 0.84 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL8590945 0.81 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL7362931 0.79 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL8192323 0.78 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL7353707 0.78 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL8569164 0.76 KMT2A (0.55) PDE4BPDE4APDE4CPDE4D
SCHEMBL7355456 0.76 PDE4A (0.51) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL7358676 0.76 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE5A

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