SCHEMBL16534366

SCHEMBL16534366

CCOC(OCC)C(=O)c1ccccc1.COC(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
CYP3A4 P08684 1/20 0.54
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
PKM P14618 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
SCHEMBL3663673 0.92 ALDH1A1 (0.55) ALDH1A1CYP3A4KMT2APOLBMEN1
Propane SCHEMBL28182556 0.89 ALDH1A1 (0.62) ALDH1A1CYP3A4KMT2APOLBMEN1
SCHEMBL26160 0.87 ALDH1A1 (0.68) ALDH1A1CYP3A4KMT2APOLBMEN1
SCHEMBL10018352 0.87 ALDH1A1 (0.68) ALDH1A1CYP3A4KMT2APOLBMEN1
SCHEMBL5446932 0.85 ALDH1A1 (0.62) ALDH1A1CYP3A4KMT2APOLBMEN1
SCHEMBL16070720 0.85 ALDH1A1 (0.62) ALDH1A1CYP3A4KMT2APOLBMEN1
SCHEMBL36134 0.85 ALDH1A1 (0.62) ALDH1A1CYP3A4KMT2APOLBMEN1
Water SCHEMBL23466907 0.85 ALDH1A1 (0.66) ALDH1A1CYP3A4KMT2APOLBMEN1
Methoxymethane SCHEMBL28231191 0.85 ALDH1A1 (0.66) ALDH1A1CYP3A4KMT2APOLBMEN1
SCHEMBL23238 0.85 PGR (0.52) ALDH1A1CYP3A4KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150064552-A1 COMPOSITE ANODE MATERIAL FOR A LITHIUM ION BATTERY AND PREPARATION METHOD THEREOF DONGGUAN AMPEREX TECHNOLOGY LIMITED (CN) 2015-03-05 US claimed
US-20150064552-A1 COMPOSITE ANODE MATERIAL FOR A LITHIUM ION BATTERY AND PREPARATION METHOD THEREOF DONGGUAN AMPEREX TECHNOLOGY LIMITED (CN) 2015-03-05 US disclosed