SCHEMBL9254916

SCHEMBL9254916

O=C(CC(c1ccccc1)N1C(=O)c2ccccc2C1=O)OO

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
HSD17B10 Q99714 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TNF P01375 13/20 0.54
PDE4A P27815 5/20 0.54
PDE4B Q07343 5/20 0.54
PDE4C Q08493 5/20 0.54
PDE4D Q08499 5/20 0.54

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
SCHEMBL6693021 0.87 TNF (0.70) ALDH1A1HSD17B10L3MBTL1TNFPDE4A
SCHEMBL29612029 0.85 ALDH1A1 (0.56) ALDH1A1HSD17B10L3MBTL1TNFPDE4A
SCHEMBL28721654 0.85 ALDH1A1 (0.56) ALDH1A1HSD17B10L3MBTL1TNFPDE4A
SCHEMBL6689045 0.84 ALDH1A1 (0.65) ALDH1A1HSD17B10L3MBTL1TNFPDE4A
SCHEMBL29441529 0.81 TNF (0.72) ALDH1A1HSD17B10L3MBTL1TNFPDE4A
SCHEMBL6694358 0.81 TNF (0.72) ALDH1A1HSD17B10L3MBTL1TNFPDE4A
SCHEMBL1757289 0.80 ALDH1A1 (0.60) ALDH1A1HSD17B10L3MBTL1
SCHEMBL28721466 0.80 SMN1; SMN2 (0.53) ALDH1A1HSD17B10L3MBTL1TNFPDE4A
SCHEMBL10926667 0.78 TNF (0.71) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL1757227 0.78 TDP1 (0.53) ALDH1A1TNFPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5466825-A Bleaches SOLVAY INTEROX LIMITED (GB) 1995-11-14 US disclosed
EP-0563186-A1 PEROXYCARBOXYLIC ACIDS SOLVAY INTEROX LIMITED (GB) 1993-10-06 EP disclosed
WO-1992011238-A2 PEROXYCARBOXYLIC ACIDS SOLVAY INTEROX LIMITED (GB) 1992-07-09 WO disclosed