SCHEMBL16239335

SCHEMBL16239335

C[CH]CC(C)SC(=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GLO1 Q04760 1/20 0.31
TRPA1 O75762 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL16235990 0.79 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28181516 0.76 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL27796717 0.74
SCHEMBL18113059 0.74 MGAM (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL18113193 0.72 MGAM (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL11106925 0.71 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL19895791 0.71 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL584269 0.69 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL18113065 0.69 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL16236012 0.69 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10SOAT1

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
EP-2803679-A1 Catalyst components for the polymerization of olefins Basell Poliolefine Italia S.r.l. (IT) 2014-11-19 EP disclosed