SCHEMBL6048448

SCHEMBL6048448

CC(C)(C)CC(OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 3/20 0.45
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 1/20 0.42
PRKCA P17252 1/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 4/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL1784212 0.83 TSHR (0.46) MEN1KMT2ATSHRTP53TDP1
SCHEMBL822526 0.79 TSHR (0.52) MEN1KMT2ATSHRTP53TDP1
SCHEMBL4577911 0.79 PDCD1 (0.54) MEN1KMT2ATSHRTP53TDP1
SCHEMBL1081908 0.78 MEN1 (0.48) MEN1KMT2ATSHRTP53TDP1
SCHEMBL1785333 0.78 TSHR (0.50) MEN1KMT2ATSHRTP53TDP1
SCHEMBL1986305 0.77 MEN1 (0.47) MEN1KMT2ATSHRTP53TDP1
SCHEMBL1786858 0.76 MEN1 (0.62) MEN1KMT2ATSHRTP53TDP1
Ethylene Glycol SCHEMBL11963136 0.75 MEN1 (0.45) MEN1KMT2ATSHRTP53TDP1
SCHEMBL1787176 0.74 KMT2A (0.50) MEN1KMT2ATSHRTP53TDP1
SCHEMBL1072309 0.74 PDCD1 (0.49) MEN1KMT2ATSHRTP53TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478617-A4 POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2006-04-19 EP claimed
EP-1478617-A1 POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2004-11-24 EP claimed
WO-2003068723-A1 POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 WO claimed