SCHEMBL7695891

SCHEMBL7695891

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.32
GABRR1 P24046 2/20 0.32
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 2/20 0.32
DGAT1 O75907 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
PGD P52209 1/20 0.31
SRC P12931 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1708891 0.82
SCHEMBL11933048 0.82
SCHEMBL143520 0.82
Acetic Acid SCHEMBL8230941 0.78 GABRR1 (0.41) FOLH1NAALAD2GABRR1CYP1A2KDM4E
SCHEMBL7695244 0.76 ALDH1A1 (0.42) KDM4EALDH1A1TSHRTDP1
SCHEMBL16776533 0.75 TSHR (0.39) KDM4EALDH1A1TSHRTDP1
Bicarbonate SCHEMBL14689679 0.75 ALDH1A1 (0.47) DGAT1ALDH1A1TSHRSRC
SCHEMBL134110 0.74
Methyl Alcohol SCHEMBL28262055 0.72 DGAT1 (0.46) DGAT1ALDH1A1TSHRSRC
SCHEMBL8930201 0.72 TSHR (0.44) FOLH1NAALAD2GABRR1CYP1A2KDM4E

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