SCHEMBL7294704

SCHEMBL7294704

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.60
PDE4A P27815 8/20 0.58
PDE4C Q08493 6/20 0.53
PDE4D Q08499 6/20 0.53
VEGFA P15692 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
CREBBP Q92793 1/20 0.51

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 SCHEMBL7290286 0.99 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DVEGFA
SCHEMBL5964136 0.91 PDE4A (0.58) PDE4BPDE4APDE4CPDE4DVEGFA
SCHEMBL7292161 0.91 PDE4A (0.58) PDE4BPDE4APDE4CPDE4DVEGFA
SCHEMBL7301150 0.89 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DVEGFA
SCHEMBL7295171 0.86 PDE4A (0.53) PDE4BPDE4APDE4CPDE4DVEGFA
SCHEMBL7294335 0.86 PDE4A (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL7293792 0.85 PDE4A (0.64) PDE4BPDE4APDE4CPDE4DVEGFA
Hydrochloric Acid SCHEMBL7296576 0.85 PDE4A (0.52) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL7302284 0.85 PDE4A (0.52) PDE4BPDE4APDE4CPDE4DVEGFA
SCHEMBL7290554 0.84 PDE4B (0.62) PDE4BPDE4APDE4CPDE4D

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