SCHEMBL4438899

SCHEMBL4438899

COc1ccc(C2CNC(=O)C(Cc3ccccc3)C2)cc1OC(C)C

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.60
PDE4A P27815 17/20 0.51
PDE4B Q07343 11/20 0.51
PDE4C Q08493 11/20 0.51
TP53 P04637 1/20 0.40
VEGFA P15692 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CREBBP Q92793 1/20 0.39

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
SCHEMBL2801773 1.00 PDE4D (0.60) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL2799859 1.00 PDE4D (0.60) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL4449911 0.90 PDE4D (0.54) PDE4DPDE4APDE4BPDE4CVEGFA
SCHEMBL2800202 0.90 PDE4D (0.54) PDE4DPDE4APDE4BPDE4CVEGFA
SCHEMBL2798274 0.90 PDE4D (0.54) PDE4DPDE4APDE4BPDE4CVEGFA
SCHEMBL2798368 0.89 PDE4D (0.56) PDE4DPDE4APDE4BPDE4C
SCHEMBL2799862 0.89 PDE4D (0.56) PDE4DPDE4APDE4BPDE4C
SCHEMBL2799802 0.88 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CVEGFA
SCHEMBL2800215 0.88 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CVEGFA
SCHEMBL2801940 0.87 PDE4D (0.61) PDE4DPDE4APDE4BPDE4C

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-2137150-A1 PIPERIDINONES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2009-12-30 EP disclosed
WO-2008110794-A1 PIPERIDINONES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-09-18 WO disclosed