SCHEMBL8211542

SCHEMBL8211542

COC(=O)C(C)(C)CC(O)O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.38
MMP8 P22894 1/20 0.32
TSHR P16473 1/20 0.31
KCNN4 O15554 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
Ammonia Solution, Strong SCHEMBL28326930 0.82 DGAT1 (0.35) DGAT1MMP8
SCHEMBL8197896 0.82 DGAT1 (0.35) DGAT1MMP8
SCHEMBL13788287 0.81 MMP8 (0.44) DGAT1MMP8TSHRKCNN4
Hydrochloric Acid SCHEMBL11505400 0.80 DGAT1 (0.34) DGAT1MMP8
SCHEMBL20086668 0.80 DGAT1 (0.34) DGAT1MMP8
SCHEMBL10388981 0.80 DGAT1 (0.34) DGAT1MMP8
SCHEMBL4124393 0.79 DGAT1 (0.37) DGAT1MMP8
SCHEMBL8321933 0.79 DGAT1 (0.41) DGAT1MMP8
SCHEMBL15001408 0.77 FDPS (0.38) DGAT1MMP8
Ammonia Solution, Strong SCHEMBL27896704 0.77 DGAT1 (0.32) DGAT1

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-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
EP-0629671-A2 Solvent composition NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1994-12-21 EP disclosed