SCHEMBL8961334

SCHEMBL8961334

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ADRA1A P35348 1/20 0.33
PDE4D Q08499 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 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
SCHEMBL16045520 0.82 TSHR (0.46) TSHRADRA1APDE4DGAASMN1; SMN2
SCHEMBL8961136 0.78 LMNA (0.41) TSHRSMN1; SMN2LMNA
SCHEMBL7638571 0.78 TET2 (0.38) TSHR
SCHEMBL11451567 0.76 TSHR (0.40) TSHRADRA1APDE4DGAASMN1; SMN2
SCHEMBL7641932 0.72 TSHR (0.42) TSHRADRA1APDE4DGAASMN1; SMN2
SCHEMBL141672 0.72 GAA (0.41) TSHRGAASMN1; SMN2LMNA
SCHEMBL16046615 0.72 TSHR (0.46) TSHRADRA1APDE4DGAASMN1; SMN2
SCHEMBL7640057 0.71 TSHR (0.36) TSHRADRA1APDE4DGAASMN1; SMN2
SCHEMBL7634041 0.71 TSHR (0.36) TSHRADRA1APDE4DLMNA
SCHEMBL7637945 0.70 TSHR (0.43) TSHRADRA1APDE4DGAASMN1; SMN2

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-0693473-A1 Method of producing pivaloylacetic acid ester UBE INDUSTRIES, LTD. (JP) 1996-01-24 EP disclosed