SCHEMBL7365058

SCHEMBL7365058

COc1ccc(C2CCC(N)(C(=O)O)C2)cc1OC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.61
PDE4A P27815 6/20 0.61
PDE4C Q08493 6/20 0.61
PDE4D Q08499 6/20 0.61
VEGFA P15692 1/20 0.52

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
SCHEMBL7360489 0.90 PDE4B (0.57) PDE4BPDE4APDE4CPDE4D
SCHEMBL7368562 0.86 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DVEGFA
SCHEMBL7360467 0.84 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DVEGFA
SCHEMBL7370366 0.83 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL9158097 0.82 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DVEGFA
SCHEMBL4163402 0.81 ALDH1A1 (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL7370364 0.81 PDE4B (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL7367735 0.79 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DVEGFA
SCHEMBL29504585 0.79 PDE4B (0.64) PDE4BPDE4APDE4CPDE4D
SCHEMBL1572501 0.79 PDE4B (0.64) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0642489-A1 CYCLOPENTANE AND CYCLOPENTENE DERIVATIVES WITH ANTIALLERGIC ANTIINFLAMMATORY AND TUMOR NECROSIS FACTOR INHIBITING ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 1995-03-15 EP claimed
WO-1993007111-A1 CYCLOPENTANE AND CYCLOPENTENE DERIVATIVES WITH ANTIALLERGIC ANTIINFLAMMATORY AND TUMOR NECROSIS FACTOR INHIBITING ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 1993-04-15 WO claimed
EP-0642489-A1 CYCLOPENTANE AND CYCLOPENTENE DERIVATIVES WITH ANTIALLERGIC ANTIINFLAMMATORY AND TUMOR NECROSIS FACTOR INHIBITING ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 1995-03-15 EP disclosed
WO-1993007111-A1 CYCLOPENTANE AND CYCLOPENTENE DERIVATIVES WITH ANTIALLERGIC ANTIINFLAMMATORY AND TUMOR NECROSIS FACTOR INHIBITING ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 1993-04-15 WO disclosed