SCHEMBL15040911

SCHEMBL15040911

COc1ccc(C2CCC(C(=O)O)CC2)cc1OC1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 1.00
PDE4A P27815 6/20 1.00
PDE4C Q08493 6/20 1.00
PDE4D Q08499 6/20 1.00
VEGFA P15692 1/20 0.58

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
SCHEMBL5184039 1.00 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DVEGFA
SCHEMBL6811984 0.93 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL6811975 0.93 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL6811981 0.93 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL5184042 0.86 PDE4B (0.76) PDE4BPDE4APDE4CPDE4D
SCHEMBL7360513 0.85 PDE4B (0.82) PDE4BPDE4APDE4CPDE4DVEGFA
SCHEMBL7365382 0.85 PDE4B (0.82) PDE4BPDE4APDE4CPDE4D
SCHEMBL9167416 0.85 PDE4B (0.78) PDE4BPDE4APDE4CPDE4DVEGFA
SCHEMBL1572502 0.83 PDE4B (0.71) PDE4BPDE4APDE4CPDE4D
SCHEMBL1572976 0.83 PDE4B (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP disclosed