SCHEMBL885380

SCHEMBL885380

COc1ccc(C(C=O)c2c(Cl)cncc2Cl)c(OCc2cc(F)cc(C(F)(F)F)c2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
P2RX7 Q99572 1/20 0.34
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ADCYAP1R1 P41586 2/20 0.32
TACR1 P25103 2/20 0.32

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
SCHEMBL885278 0.89 PDE4D (0.42) PDE4DMRGPRX4KDM4EALDH1A1MAPT
SCHEMBL885186 0.81 PDE4D (0.56) PDE4DALDH1A1LMNA
SCHEMBL885063 0.81 PDE4D (0.46) PDE4DALDH1A1HPGDLMNAMAPT
SCHEMBL885296 0.81 PDE4D (0.46) PDE4DKDM4EALDH1A1P2RX7MAPT
SCHEMBL885225 0.80 PDE4D (0.41) PDE4DMRGPRX4P2RX7
SCHEMBL886771 0.80 PDE4D (0.45) PDE4DADCYAP1R1
SCHEMBL885189 0.79 PDE4D (0.45) PDE4DMRGPRX4
SCHEMBL885283 0.79 PDE4D (0.45) PDE4DMRGPRX4
SCHEMBL886789 0.79 PDE4D (0.38) PDE4DKDM4EALDH1A1MAPT
SCHEMBL4430357 0.79 PDE4D (0.48) PDE4DP2RX7

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