SCHEMBL885375

SCHEMBL885375

C=CCOc1c(OC)ccc(C(C=O)c2c(Cl)cncc2Cl)c1OCCc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 0.41
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
P2RX7 Q99572 1/20 0.31
NPBWR1 P48145 1/20 0.30
MCHR1 Q99705 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
ALK Q9UM73 2/20 0.30
INSR P06213 1/20 0.30

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
SCHEMBL4430357 0.91 PDE4D (0.48) PDE4DCNR1CNR2PDE4APDE4B
SCHEMBL885259 0.89 PDE4D (0.40) PDE4DKDM4EPOLBLMNAMAPT
SCHEMBL885392 0.86 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL885164 0.86 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL885209 0.84 PDE4D (0.49) PDE4DCNR2PDE4APDE4BPDE4C
SCHEMBL884919 0.83 PDE4D (0.48) PDE4DCNR2PDE4APDE4BPDE4C
SCHEMBL886793 0.82 PDE4D (0.48) PDE4DCNR2PDE4APDE4BPDE4C
SCHEMBL885330 0.82 PDE4D (0.46) PDE4DPOLBNPBWR1MCHR1
SCHEMBL885267 0.82 PDE4D (0.42) PDE4DCNR1CNR2
SCHEMBL885291 0.80 PDE4D (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP claimed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO claimed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP disclosed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO disclosed