SCHEMBL8733356

SCHEMBL8733356

CCCOC(=O)C(=O)CC(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 4/20 0.35
HCAR2 Q8TDS4 1/20 0.34
RAB9A P51151 1/20 0.33
TSHR P16473 3/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACHE P22303 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
SCHEMBL141672 0.83 GAA (0.41) GAASMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL16045838 0.83 GAA (0.43) GAASMN1; SMN2ALDH1A1HCAR2TSHR
SCHEMBL1792560 0.79 GAA (0.41) GAAALDH1A1HCAR2RAB9ATSHR
SCHEMBL27805150 0.78 GAA (0.39) GAAALDH1A1HCAR2RAB9ATSHR
SCHEMBL14199947 0.77 GAA (0.42) GAASMN1; SMN2ALDH1A1HCAR2TSHR
SCHEMBL7638571 0.76 TET2 (0.38) ALDH1A1TSHR
SCHEMBL9179520 0.75 GAA (0.41) GAASMN1; SMN2ALDH1A1HCAR2TSHR
SCHEMBL9174472 0.75 GAA (0.41) GAASMN1; SMN2ALDH1A1HCAR2TSHR
SCHEMBL3020479 0.73 HCAR2 (0.41) GAASMN1; SMN2ALDH1A1HCAR2TSHR
SCHEMBL16044867 0.73 HCAR2 (0.41) GAASMN1; SMN2ALDH1A1HCAR2TSHR

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-0693473-B1 Method of producing pivaloylacetic acid ester UBE INDUSTRIES (JP) 1998-04-22 EP disclosed
US-5679830-A DECARBONYLATION OF PIVALOYLPYRUVIC ACID IN THE PRESENCE OF AN INORGANIC OXIDE CATALYST UBE INDUSTRIES, LTD. (JP) 1997-10-21 US disclosed
EP-0693473-A1 Method of producing pivaloylacetic acid ester UBE INDUSTRIES, LTD. (JP) 1996-01-24 EP disclosed