SCHEMBL3554772

SCHEMBL3554772

COc1ccc(C2=NOC3(CCC(NC(=O)OC(C)(C)C)CC3)C2)cc1OC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.58
PDE4A P27815 14/20 0.58
PDE4C Q08493 13/20 0.58
PDE4D Q08499 13/20 0.58
ALDH1A1 P00352 1/20 0.46
CFTR P13569 1/20 0.42

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
SCHEMBL5047903 0.89 PDE4A (0.62) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL3543669 0.88 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL3676490 0.87 PDE4A (0.61) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL3669560 0.85 PDE4A (0.59) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL3555709 0.85 PDE4B (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL3679971 0.85 PDE4A (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL3677699 0.83 PDE4D (0.56) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL3675100 0.82 PDE4A (0.62) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL3673799 0.82 PDE4D (0.55) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL3672011 0.82 PDE4A (0.62) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825147-B2 Inhibitors of phosphodiesterase type-IV RANBAXY LABORATORIES LIMITED (IN) 2010-11-02 US claimed