SCHEMBL5807347

SCHEMBL5807347

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.36
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
HK2 P52789 1/20 0.33
PIM1 P11309 1/20 0.33
EPHX2 P34913 1/20 0.32
CYP3A4 P08684 1/20 0.32
IDO1 P14902 1/20 0.31

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
SCHEMBL5817284 1.00 KCNA3 (0.36) KCNA3PDE4APDE4BPDE4CPDE4D
SCHEMBL5822170 0.69 PIM1 (0.39) PDE4APDE4BPDE4CPDE4DPIM1
SCHEMBL5816765 0.68 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPIM1
SCHEMBL5807302 0.68 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPIM1
SCHEMBL678486 0.67 KCNA3 (0.53) KCNA3CYP3A4
SCHEMBL29745831 0.67 CYP3A4 (0.46) KCNA3CYP3A4IDO1
SCHEMBL5818903 0.66 PIM1 (0.47) PDE4APDE4BPDE4CPDE4DPIM1
SCHEMBL5821580 0.66 PIM1 (0.47) PDE4APDE4BPDE4CPDE4DPIM1
SCHEMBL5821913 0.66 HSD17B10 (0.33)
SCHEMBL4108349 0.66 KCNA3 (0.47) KCNA3CA12CA9CYP3A4

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