SCHEMBL7689043

SCHEMBL7689043

COC(=O)C(C)O.COCC(C)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA14 Q9ULX7 2/20 0.34
CA12 O43570 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ESRRB O95718 1/20 0.31
TSHR P16473 1/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 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
SCHEMBL14680929 0.91
SCHEMBL10125303 0.91
SCHEMBL445678 0.91
SCHEMBL27382 0.81
SCHEMBL65010 0.81
SCHEMBL15512181 0.81 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ACA14CA12
SCHEMBL63918 0.81
Hydrochloric Acid SCHEMBL3331961 0.78
SCHEMBL16197775 0.78 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2ACA14CA12
Hydrochloric Acid SCHEMBL2652402 0.78

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-0629671-B1 Solvent composition MITSUBISHI RAYON CO (JP) 2002-03-27 EP disclosed
EP-1016699-A1 Use of a solvent composition comprising an oxyisobutyric acid ester as a cleaning agent Mitsubishi Rayon Co., Ltd. (JP) 2000-07-05 EP disclosed
EP-1016698-A1 Use of a solvent composition containing an oxyisobutyric acid ester as a solvent in coatings, adhesives and printing inks Mitsubishi Rayon Co., Ltd. (JP) 2000-07-05 EP disclosed