SCHEMBL6662610

SCHEMBL6662610

CCC(C)(C)OOOC(=O)CCCCCO

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
GPR84 Q9NQS5 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
VCAM1 P19320 1/20 0.35
DGKA P23743 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 3/20 0.33
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PAM P19021 2/20 0.32
CNR2 P34972 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
SCHEMBL6659869 1.00 KDM4E (0.38) KDM4ESMN1; SMN2CYP4F2CYP4A11GPR84
SCHEMBL7995222 0.93 DGKA (0.38) KDM4EDGKAMAPTMAPK1LMNA
SCHEMBL9617938 0.93 DGKA (0.38) KDM4EDGKAMAPTMAPK1LMNA
SCHEMBL8031982 0.91 DGKA (0.35) KDM4EDGKAMAPTMAPK1TDP1
SCHEMBL7699787 0.88 DGKA (0.47) GPR84FFAR1FFAR4DGKAMAPT
SCHEMBL8022285 0.88 TSHR (0.38) KDM4EDGKATDP1MEN1KMT2A
SCHEMBL7553279 0.87 CYP4F2 (0.38) KDM4ESMN1; SMN2CYP4F2CYP4A11GPR84
SCHEMBL5463572 0.86 DGKA (0.44) DGKAMAPTMAPK1LMNAPAM
SCHEMBL658315 0.85 DGKA (0.33) DGKAMAPTMAPK1LMNAPAM
SCHEMBL6661053 0.84 TDP1 (0.40) KDM4ESMN1; SMN2CYP4F2CYP4A11GPR84

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