SCHEMBL6661924

SCHEMBL6661924

CC(C)(CCC(C)(C)OOC(=O)CCCCCO)OOC(=O)CCCCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.40
CYP4A11 Q02928 3/20 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
TDP1 Q9NUW8 1/20 0.36
VCAM1 P19320 1/20 0.34
CNR2 P34972 1/20 0.33
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 2/20 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

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
SCHEMBL10712716 0.85 DGKA (0.50) GPR84FFAR1FFAR4TDP1DGKA
SCHEMBL4817980 0.85 DGKA (0.50) GPR84FFAR1FFAR4TDP1DGKA
SCHEMBL5136338 0.85 DGKA (0.33) FFAR1TDP1DGKAMAPTMAPK1
SCHEMBL19118231 0.85 DGKA (0.50) GPR84FFAR1FFAR4TDP1DGKA
SCHEMBL19117989 0.85 DGKA (0.50) GPR84FFAR1FFAR4TDP1DGKA
SCHEMBL10716665 0.84 CYP4F2 (0.33) CYP4F2CYP4A11CNR2DGKAMAPT
SCHEMBL1581535 0.83 DGKA (0.47) GPR84DGKAMAPTMAPK1LMNA
SCHEMBL7553279 0.82 CYP4F2 (0.38) CYP4F2CYP4A11GPR84FFAR1FFAR4
SCHEMBL8529472 0.82 MAPT (0.38) CYP4F2CYP4A11GPR84FFAR1FFAR4
SCHEMBL10714572 0.81 DGKA (0.39) KDM4EDGKAMAPTMAPK1LMNA

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 5 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 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