SCHEMBL9839334

SCHEMBL9839334

CCCCCCCCCCCCCCCCCCC1(CO)COC1C

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.39
SIRT2 Q8IXJ6 1/20 0.36
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL729382 0.72 GAA (0.39) GAA
SCHEMBL2110751 0.67 SIRT2 (0.51) GAASIRT2ALDH1A1
SCHEMBL2109882 0.67 SIRT2 (0.51) GAASIRT2ALDH1A1
SCHEMBL9587057 0.67 SIRT2 (0.51) GAASIRT2ALDH1A1
SCHEMBL2111446 0.67 SIRT2 (0.51) GAASIRT2ALDH1A1
SCHEMBL10996586 0.67 SIRT2 (0.51) GAASIRT2ALDH1A1
SCHEMBL2902851 0.67 SIRT2 (0.51) GAASIRT2ALDH1A1
SCHEMBL2110034 0.67 SIRT2 (0.51) GAASIRT2ALDH1A1
SCHEMBL2111698 0.67 SIRT2 (0.51) GAASIRT2ALDH1A1
SCHEMBL2902501 0.67 SIRT2 (0.51) GAASIRT2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0245792-B1 PROCESS FOR THE PREPARATION OF CARBOXYLIC-ACID ESTERS BAYER AG (DE) 1991-06-12 EP disclosed
US-5004569-A Using phosphite containing oxetane groups as esterification catalyst BAYER AKTIENGESELLSCHAFT (DE) 1991-04-02 US disclosed
EP-0245792-A2 Process for the preparation of carboxylic-acid esters BAYER AG (DE) 1987-11-19 EP disclosed
US-4225483-A Boric acid esters and oxetanes for stabilizing phosphite-free polycarbonates BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed
EP-0001823-A2 Use of esters of boric acid to stabilize phosphite-free polycarbonates, and the obtained stabilized polycarbonate moulding compositions BAYER AG (DE) 1979-05-16 EP disclosed