SCHEMBL7294335

SCHEMBL7294335

COc1ccc(C2CC(=O)N(C(=O)NC3CCCCC3)N2C)cc1OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.53
PDE4B Q07343 16/20 0.49
PDE4C Q08493 7/20 0.48
PDE4D Q08499 7/20 0.48
CTSK P43235 1/20 0.46

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
Hydrochloric Acid SCHEMBL7296576 0.99 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCTSK
SCHEMBL7301150 0.89 PDE4B (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL7295171 0.86 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL7292161 0.86 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL5964136 0.86 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL7294704 0.86 PDE4B (0.60) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7302284 0.86 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7290286 0.85 PDE4B (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL7290554 0.85 PDE4B (0.62) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7293355 0.84 PDE4B (0.61) PDE4APDE4BPDE4CPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511865-B1 Phenyl pyrazolidinones as bronchodilators and anti-inflammatory agents AMERICAN HOME PROD (US) 1997-01-29 EP claimed
EP-0511865-A1 Phenyl pyrazolidinones as bronchodilators and anti-inflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-11-04 EP claimed