SCHEMBL5733652

SCHEMBL5733652

COc1ccc([C@H]2CCCC[C@H]2NC(=O)c2ccc(OCc3ccccc3)c(OCC3CC3)c2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.53
PDE4B Q07343 4/20 0.53
PDE4C Q08493 4/20 0.53
PDE4D Q08499 4/20 0.53
SMPD1 P17405 2/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
APP P05067 2/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
C5AR1 P21730 1/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
CSF1R P07333 1/20 0.44

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
SCHEMBL5736521 0.94 SMPD1 (0.59) PDE4APDE4BPDE4CPDE4DSMPD1
SCHEMBL5734886 0.91 PDE4B (0.54) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL5735482 0.89 PDE4B (0.52) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5735485 0.89 PDE4B (0.52) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5734204 0.88 PDE4B (0.53) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5734199 0.88 PDE4B (0.53) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6167359 0.88 PDE4B (0.53) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6167355 0.88 PDE4B (0.53) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5733984 0.84 PDE4B (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL5733988 0.84 PDE4B (0.62) PDE4APDE4BPDE4CPDE4D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1650193-A2 6-Phenylphenanthridines with PDE-IV inhibiting activity ALTANA Pharma AG (DE) 2006-04-26 EP disclosed
EP-1147089-B1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2005-12-07 EP disclosed
US-6476025-B1 Phenylphennanthridines with PDE-IV inhibiting activity ALTANA PHARMA AG (DE) 2002-11-05 US disclosed