SCHEMBL11379331

SCHEMBL11379331

CCOC(=O)OC(C)=CC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.58
ALDH1A1 P00352 5/20 0.50
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 1/20 0.38
GLO1 Q04760 1/20 0.38
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TRPA1 O75762 1/20 0.33
THRB P10828 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
HTT P42858 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL11379327 1.00 SOAT1 (0.58) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL9821166 0.82 SOAT1 (0.64) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL11818474 0.81
SCHEMBL17300447 0.81
SCHEMBL6127444 0.81
Diethyl Pyrocarbonate SCHEMBL15582 0.75 SOAT1 (1.00) SOAT1ALDH1A1LMNAHSD17B10NPSR1
Diethyl Pyrocarbonate SCHEMBL30366210 0.75 SOAT1 (1.00) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL2161093 0.74
SCHEMBL3482852 0.74
SCHEMBL28990897 0.74 SOAT1 (0.74) SOAT1ALDH1A1LMNAHSD17B10NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4281329-A CONTAINING A CARBONIC ACID ESTER; FOR INK JET PRINTING CANON KABUSHIKI KAISHA (JP) 1981-07-28 US disclosed