SCHEMBL6167359

SCHEMBL6167359

CCOc1cc([C@H]2CCCC[C@H]2NC(=O)c2ccc(OCC3CC3)c(OCC3CC3)c2)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.53
PDE4A P27815 4/20 0.53
PDE4C Q08493 4/20 0.53
PDE4D Q08499 4/20 0.53
TAS1R3 Q7RTX0 3/20 0.47
TAS1R1 Q7RTX1 3/20 0.47
APOBEC3G Q9HC16 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL5734199 1.00 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DTAS1R3
SCHEMBL5734204 1.00 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DTAS1R3
SCHEMBL6167355 1.00 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DTAS1R3
SCHEMBL5735482 0.99 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DTAS1R3
SCHEMBL5735485 0.99 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DTAS1R3
SCHEMBL5734886 0.94 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DTAS1R3
SCHEMBL5733652 0.88 PDE4A (0.53) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL5733988 0.87 PDE4B (0.62) PDE4BPDE4APDE4CPDE4D
SCHEMBL5733984 0.87 PDE4B (0.62) PDE4BPDE4APDE4CPDE4D
SCHEMBL5735938 0.85 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DTAS1R3

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-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
EP-1147089-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-10-24 EP disclosed
WO-2000042020-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 WO disclosed