SCHEMBL6661053

SCHEMBL6661053

CC(C)(C)OOOC(=O)CCCCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
VCAM1 P19320 1/20 0.34
DGKA P23743 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 3/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
TSHR P16473 1/20 0.31
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL491916 0.92 DGKA (0.38) TDP1DGKAMAPTMAPK1GAA
SCHEMBL679714 0.92 DGKA (0.38) TDP1DGKAMAPTMAPK1GAA
SCHEMBL1845580 0.90 TSHR (0.37) TDP1DGKAMAPTMAPK1GAA
SCHEMBL8031597 0.86 TSHR (0.42) TDP1DGKATSHR
SCHEMBL2902869 0.85 DGKA (0.50) TDP1GPR84FFAR1FFAR4DGKA
SCHEMBL491917 0.85 TSHR (0.44) TDP1GPR84FFAR1FFAR4LMNA
SCHEMBL9566603 0.85 DGKA (0.50) TDP1GPR84FFAR1FFAR4DGKA
SCHEMBL7702906 0.85 DGKA (0.50) TDP1GPR84FFAR1FFAR4DGKA
SCHEMBL125915 0.85 DGKA (0.50) TDP1GPR84FFAR1FFAR4DGKA
SCHEMBL20394087 0.85 DGKA (0.50) TDP1GPR84FFAR1FFAR4DGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1220837-B1 PROCESS FOR PREPARING PEROXIDES USING MIXED ANHYDRIDES AKZO NOBEL NV (NL) 2004-08-18 EP claimed
US-6610880-B1 Reacting with an organohydroperoxide under basic conditions to form peracids, peresters, diacylperoxides or their hydroxy derivatives; low cost; odorless; high yield AKZO NOBEL NV (NL) 2003-08-26 US claimed
EP-1220837-B1 PROCESS FOR PREPARING PEROXIDES USING MIXED ANHYDRIDES AKZO NOBEL NV (NL) 2004-08-18 EP disclosed
US-20040049070-A1 Reacting a hydroperoxide or acyl hydroperoxide with a mixed anhydride having a -C(O)-O-C(O)-O- group to form a peracid or diacyl peroxide; OVERKAMP JOHANNES WILLIBRORDUS (NL) 2004-03-11 US disclosed
US-6610880-B1 Reacting with an organohydroperoxide under basic conditions to form peracids, peresters, diacylperoxides or their hydroxy derivatives; low cost; odorless; high yield AKZO NOBEL NV (NL) 2003-08-26 US disclosed
EP-1220837-A1 PROCESS FOR PREPARING PEROXIDES USING MIXED ANHYDRIDES Akzo Nobel N.V. (NL) 2002-07-10 EP disclosed
WO-2001027078-A1 PROCESS FOR PREPARING PEROXIDES USING MIXED ANHYDRIDES AKZO NOBEL N.V. (NL) 2001-04-19 WO disclosed