SCHEMBL28093161

SCHEMBL28093161

CC(C)OC(=O)CCC(C)(C)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 1/20 0.34
NOTUM Q6P988 1/20 0.33
CYP2D6 P10635 1/20 0.33
GAA P10253 1/20 0.32
EPHX2 P34913 1/20 0.32
PIK3CD O00329 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL14984809 0.84 LMNA (0.50) LMNAALDH1A1TSHRMAPTHTT
SCHEMBL13573372 0.84 LMNA (0.61) LMNAALDH1A1MAPTGAAEPHX2
SCHEMBL19859133 0.79 LMNA (0.46) LMNAALDH1A1TSHRMAPTHTT
SCHEMBL72471 0.78 LMNA (0.62) LMNAALDH1A1TSHRMAPTHTT
SCHEMBL28166421 0.77 LMNA (0.42) LMNAALDH1A1TSHRMAPTCYP2D6
SCHEMBL31402602 0.76 LMNA (0.60) LMNAALDH1A1TSHRMAPTHTT
SCHEMBL9362276 0.75 LMNA (0.46) LMNAALDH1A1TSHRMAPTHTT
SCHEMBL19616629 0.75 TSHR (0.57) LMNAALDH1A1TSHRMAPTHTT
SCHEMBL14996424 0.74 LMNA (0.48) LMNAALDH1A1TSHRMAPTHTT
SCHEMBL12560963 0.74 LMNA (0.48) LMNATSHRMAPTHTTNOTUM

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
CN-105970248-A Electrochemical synthesis method of titanium tetraisopropanolate 孟红琳 2016-09-28 CN disclosed