SCHEMBL7355462

SCHEMBL7355462

COc1ccc(CC(C)C#N)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.52
PDE4B Q07343 6/20 0.49
RECQL P46063 1/20 0.49
PDE4D Q08499 4/20 0.47
PDE4C Q08493 3/20 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
SCHEMBL10339014 0.83 LDHA (0.54)
SCHEMBL9266969 0.83 PDE4A (0.56) PDE4APDE4BRECQLPDE4DPDE4C
SCHEMBL3170776 0.81 PDE4B (0.53) PDE4APDE4BRECQLPDE4DPDE4C
SCHEMBL11328358 0.80 PDE4A (0.49) PDE4APDE4BRECQLPDE4DPDE4C
SCHEMBL1388410 0.80 PDE4A (0.62) PDE4APDE4BPDE4DPDE4C
SCHEMBL7323520 0.79 PDE4B (0.54) PDE4APDE4BRECQLPDE4DPDE4C
SCHEMBL11322636 0.79 PDE4A (0.48) PDE4APDE4BRECQLPDE4DPDE4C
SCHEMBL7321222 0.78 PDE4A (0.53) PDE4APDE4BPDE4DPDE4C
SCHEMBL7312410 0.78 PDE4A (0.49) PDE4APDE4BPDE4DPDE4C
SCHEMBL3976102 0.78 PDE4B (0.57) PDE4APDE4BRECQLPDE4DPDE4C

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-0538384-A4 OXAMIDES SMITHKLINE BEECHAM CORP (US) 1995-04-12 EP 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