SCHEMBL15085332

SCHEMBL15085332

CCOc1cc2c(-c3ccn(CCOC)c(=O)c3)c(CO)c(CO)cc2cc1OC=NN=C(C)N=[N+]=[N-]

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.53
PDE4B Q07343 20/20 0.53
PDE4C Q08493 20/20 0.53
PDE4D Q08499 20/20 0.53
PDE3B Q13370 20/20 0.53
PDE3A Q14432 20/20 0.53
PDE5A O76074 19/20 0.53
PDE1A P54750 14/20 0.39
PDE1B Q01064 14/20 0.39
PDE1C Q14123 14/20 0.39
PDE2A O00408 2/20 0.37
PDE7A Q13946 1/20 0.37
PDE7B Q9NP56 1/20 0.37

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
SCHEMBL155132 0.86 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL29623702 0.86 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7285109 0.83 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL2473235 0.78 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL15085278 0.77 PDE5A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7289581 0.74 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL12013957 0.73 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7287261 0.70 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7285598 0.68 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7279127 0.66 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DPDE3B

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
EP-1389467-B1 Therapeutic composition for the regenerative treatment of cartilage diseases MITSUBISHI TANABE PHARMA CORP (JP) 2013-07-03 EP disclosed