SCHEMBL7355456

SCHEMBL7355456

COc1ccc(C(C)(C)C#N)cc1OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.51
PDE4B Q07343 14/20 0.51
PDE4C Q08493 10/20 0.50
PDE4D Q08499 10/20 0.50
POLB P06746 1/20 0.46
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

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
SCHEMBL9269715 0.89 PDE4B (0.49) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7845534 0.85 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7362931 0.84 PDE4B (0.48) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7358676 0.83 PDE4B (0.52) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL601637 0.83 CASP1 (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL6231255 0.82 CASP1 (0.55) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6587626 0.82 PDE4B (0.48) PDE4APDE4BPDE4CPDE4DPOLB
Ammonia Solution, Strong SCHEMBL7995011 0.81 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6815488 0.81 CASP1 (0.54) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6826307 0.81 CASP1 (0.54) 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