SCHEMBL6663428

SCHEMBL6663428

CCC(C)OC(=O)OC(=O)c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
TSHR P16473 3/20 0.42
PLK1 P53350 3/20 0.40
PLK2 Q9NYY3 2/20 0.40
PLK3 Q9H4B4 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
UTS2R Q9UKP6 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL13328208 0.87 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EADRB2ADRB1ADRB3
SCHEMBL12802081 0.84 ALDH1A1 (0.41) SMN1; SMN2KDM4EADRB2ADRB1ADRB3
SCHEMBL29201681 0.80 NPC1 (0.50) SMN1; SMN2ADRB2ADRB1ADRB3TSHR
SCHEMBL27501656 0.79 TSHR (0.58) SMN1; SMN2ADRB2ADRB1ADRB3TSHR
SCHEMBL6231293 0.77 ALDH1A1 (0.58) SMN1; SMN2TSHRMAPTMAPK1ALDH1A1
SCHEMBL777261 0.76 NPC1 (0.53) ADRB2ADRB1ADRB3TSHRPLK1
SCHEMBL29436920 0.76 NPC1 (0.53) ADRB2ADRB1ADRB3TSHRPLK1
SCHEMBL14690195 0.76 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EADRB2ADRB1ADRB3
SCHEMBL2408720 0.76 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EADRB2ADRB1ADRB3
SCHEMBL8948919 0.75 TSHR (0.52) SMN1; SMN2ADRB2ADRB1ADRB3TSHR

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