SCHEMBL6663369

SCHEMBL6663369

O=C(OCCCCCCO)c1ccccc1C(=O)OOC(=O)c1ccccc1C(=O)OCCCCCCO

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.65
ALDH1A1 P00352 8/20 0.65
LMNA P02545 3/20 0.65
CYP3A4 P08684 3/20 0.62
MAPK1 P28482 3/20 0.62
TP53 P04637 1/20 0.62
TDP1 Q9NUW8 4/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
KDM4E B2RXH2 3/20 0.53
HSD17B10 Q99714 2/20 0.53
POLB P06746 1/20 0.53
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
NPC1 O15118 1/20 0.43
CNR2 P34972 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL684368 0.95 ALDH1A1 (0.71) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL1813573 0.95 ALDH1A1 (0.71) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL21143371 0.95 ALDH1A1 (0.71) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL31657765 0.93 TSHR (0.70) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL1308818 0.93 TSHR (0.70) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL28904646 0.91 TSHR (0.67) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL28174485 0.88 ALDH1A1 (0.63) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL6742726 0.88 ALDH1A1 (0.63) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL1513967 0.87 TSHR (0.69) TSHRALDH1A1LMNACYP3A4MAPK1
Ethylene Glycol SCHEMBL23581107 0.87 ALDH1A1 (0.61) TSHRALDH1A1LMNACYP3A4MAPK1

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 6 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
CN-1378530-A Process for preparing peroxides using mixed anhydrides AKZO NOBEL NV (NL) 2002-11-06 CN 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