SCHEMBL7368534

SCHEMBL7368534

COc1ccc(C2CC(=O)N(COCc3ccccc3)C2)cc1OC1CCCC1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.79
PDE4B Q07343 15/20 0.65
PDE4C Q08493 9/20 0.65
PDE4D Q08499 9/20 0.65
VEGFA P15692 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
CREBBP Q92793 1/20 0.50

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
SCHEMBL3542641 0.88 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DVEGFA
SCHEMBL3541761 0.88 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DVEGFA
SCHEMBL5760778 0.88 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DVEGFA
SCHEMBL7365947 0.86 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DVEGFA
SCHEMBL3539891 0.83 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DVEGFA
SCHEMBL5227988 0.83 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DVEGFA
SCHEMBL3542660 0.83 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DVEGFA
SCHEMBL3542007 0.81 PDE4A (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL3550628 0.81 PDE4A (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL7448224 0.81 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DVEGFA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992019594-A1 PYRROLIDINONES SMITHKLINE BEECHAM CORPORATION (US) 1992-11-12 WO disclosed