SCHEMBL6659990

SCHEMBL6659990

CC(O)CC(=O)OOC(=O)CC(C)O.O=C(CCCO)OOC(=O)CCCO

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
CAMK2A Q9UQM7 1/20 0.34
LMNA P02545 3/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DUSP3 P51452 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.32
DGKA P23743 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
SCHEMBL21197469 0.84 ALDH1A1 (0.38) MAPTCAMK2ALMNATSHRKDM4E
SCHEMBL6661660 0.82 TSHR (0.35) MAPTTSHR
3-Hydroxybutyric Acid, (+/-)- SCHEMBL27850354 0.76 TSHR (0.52) MAPTCAMK2ALMNATSHRMEN1
SCHEMBL7555612 0.74 MAPT (0.42) MAPTLMNATSHRKDM4EDUSP3
Propylene Glycol SCHEMBL3742500 0.73 TSHR (0.56) MAPTLMNATSHRKDM4EDUSP3
SCHEMBL6659663 0.73 GPR84 (0.50) MAPTCAMK2ALMNATSHRKDM4E
SCHEMBL19433817 0.72 ACHE (0.40) MAPTMAPK1
SCHEMBL17477054 0.72 ACHE (0.40) MAPTMAPK1
3-Hydroxybutyric Acid, (+/-)- SCHEMBL2034805 0.71 CAMK2A (0.61) CAMK2ALMNATSHRMEN1KMT2A
SCHEMBL2531900 0.71 MAPT (0.48) MAPTLMNATSHRKDM4EDUSP3

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