SCHEMBL9836455

SCHEMBL9836455

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
GABBR2 O75899 1/20 0.50
GABBR1 Q9UBS5 1/20 0.50
CYP2D6 P10635 2/20 0.48
CYP1A2 P05177 1/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ATM Q13315 1/20 0.45
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
SRC P12931 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL1923824 0.89 ALDH1A1 (0.47) ALDH1A1GABBR2GABBR1CYP2D6CYP1A2
SCHEMBL9835932 0.87 GABBR2 (0.43) ALDH1A1GABBR2GABBR1CYP2D6CYP1A2
SCHEMBL7995142 0.82 ALDH1A1 (0.67) ALDH1A1GABBR2GABBR1CYP2D6CYP1A2
SCHEMBL7092226 0.82 ALDH1A1 (0.50) ALDH1A1GABBR2GABBR1CYP2D6CYP1A2
SCHEMBL657290 0.80 GABBR2 (0.61) ALDH1A1GABBR2GABBR1CYP2D6CYP1A2
SCHEMBL9541616 0.80 GABBR2 (0.61) ALDH1A1GABBR2GABBR1CYP2D6CYP1A2
SCHEMBL11043651 0.79 SMN1; SMN2 (0.41) ALDH1A1GABBR2GABBR1CYP2D6CYP1A2
SCHEMBL232194 0.79 F2 (0.59) ALDH1A1GABBR2GABBR1CYP2D6CYP1A2
SCHEMBL503819 0.78 GABBR2 (0.76) GABBR2GABBR1CYP2D6CYP1A2PKM
SCHEMBL1811811 0.77 ALDH1A1 (0.61) ALDH1A1GABBR2GABBR1MAPTL3MBTL1

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
EP-0206624-B1 DIPEROXY ACIDS AND BLEACHING THEREWITH THE PROCTER & GAMBLE COMPANY (US) 1991-10-16 EP disclosed
US-4876046-A ANTISEPTICS AND BLEACHES THE PROCTER & GAMBLE COMPANY (US) 1989-10-24 US disclosed
EP-0206624-A2 Diperoxy acids and bleaching therewith THE PROCTER & GAMBLE COMPANY (US) 1986-12-30 EP disclosed