SCHEMBL13648285

SCHEMBL13648285

CC(=O)OCC(OC(C)=O)C1(C)CO1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 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
SCHEMBL2484323 0.71 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL12694792 0.71 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2484324 0.71 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
Triacetin SCHEMBL3412490 0.68 TDP1 (0.47) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL1079198 0.68 TDP1 (0.56) TDP1TSHRALDH1A1LMNAHSD17B10
Triacetin SCHEMBL821340 0.68 TDP1 (0.56) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL12846719 0.68 TDP1 (0.75) TDP1TSHRALDH1A1LMNAHSD17B10
Triacetin SCHEMBL3870 0.68 TDP1 (0.56) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL7150206 0.68 TDP1 (0.75) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL8723281 0.68 TDP1 (0.75) TDP1TSHRALDH1A1LMNAHSD17B10

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-1356033-B1 METHYL-D-ERYTHRITOL PHOSPHATE PATHWAY GENES MONSANTO TECHNOLOGY LLC (US) 2009-10-28 EP disclosed
US-20080244790-A1 METHYL-D-ERYTHRITOL PHOSPHATE PATHWAY GENES BORONAT ALBERT 2008-10-02 US disclosed
US-7405343-B2 Methyl-D-erythritol phosphate pathway genes MONSANTO TECHNOLOGY LLC (US) 2008-07-29 US disclosed