SCHEMBL5816765

SCHEMBL5816765

COC1=C(OC(C)=O)C(=O)c2c(O)c(OC)c(OC(C)=O)c(O)c2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
PREP P48147 3/20 0.40
CELA1 Q9UNI1 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34

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
SCHEMBL5807302 1.00 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPREP
SCHEMBL5808952 0.76 PIM1 (0.47) PDE4APDE4BPDE4CPDE4DPREP
SCHEMBL5822170 0.74 PIM1 (0.39) PDE4APDE4BPDE4CPDE4DGRIN2D
SCHEMBL5821938 0.72 HTT (0.50) PDE4DGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5818903 0.68 PIM1 (0.47) PDE4APDE4BPDE4CPDE4DGRIN2D
SCHEMBL5821580 0.68 PIM1 (0.47) PDE4APDE4BPDE4CPDE4DGRIN2D
SCHEMBL5817284 0.68 KCNA3 (0.36) PDE4APDE4BPDE4CPDE4DPIM1
SCHEMBL5807347 0.68 KCNA3 (0.36) PDE4APDE4BPDE4CPDE4DPIM1
SCHEMBL5811855 0.67 KDM4E (0.65) PREPPIM1EPHX2MEN1ALDH1A1
SCHEMBL7249005 0.66 GRIN2D (0.39) PDE4APDE4BPDE4CPDE4DGRIN2D

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
WO-2006107827-A1 SKIN BONDING PROCESS CREIGHTON UNIVERSITY (US) 2006-10-12 WO disclosed