SCHEMBL4556514

SCHEMBL4556514

CCCCCOc1cccc(CC2CC(c3ccc(OC)c(OC4CCCC4)c3)CNC2=O)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 11/20 0.75
PDE4A P27815 14/20 0.50
PDE4B Q07343 13/20 0.50
PDE4C Q08493 9/20 0.50
CYP3A4 P08684 2/20 0.50
VEGFA P15692 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 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
KDM4E B2RXH2 1/20 0.50
PDE5A O76074 1/20 0.50
TNF P01375 1/20 0.50
MAPK1 P28482 1/20 0.50
BLM P54132 1/20 0.50
PDE1A P54750 1/20 0.50
PDE1B Q01064 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
SCHEMBL2801391 1.00 PDE4D (0.75) PDE4DPDE4APDE4BPDE4CCYP3A4
SCHEMBL2797230 1.00 PDE4D (0.75) PDE4DPDE4APDE4BPDE4CCYP3A4
SCHEMBL4443177 0.99 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CCYP3A4
SCHEMBL2798633 0.99 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CCYP3A4
SCHEMBL2795532 0.99 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CCYP3A4
SCHEMBL2802100 0.99 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CCYP3A4
SCHEMBL2795958 0.99 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CCYP3A4
SCHEMBL2800111 0.98 PDE4D (0.76) PDE4DPDE4APDE4BPDE4CCYP3A4
SCHEMBL2798364 0.98 PDE4D (0.76) PDE4DPDE4APDE4BPDE4CCYP3A4
SCHEMBL2801368 0.95 PDE4D (0.77) PDE4DPDE4APDE4BPDE4CCYP3A4

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