SCHEMBL11516009

SCHEMBL11516009

CC(=O)OCC(COC(C)=O)OC(=O)CCl

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
AR P10275 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
PRKCA P17252 5/20 0.41
HSD17B10 Q99714 1/20 0.36
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL2585304 0.85 ALDH1A1 (0.46) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL15695764 0.81 ALDH1A1 (0.47) TDP1ALDH1A1LMNAPRKCAHSD17B10
Triacetin SCHEMBL19859036 0.81 AR (0.50) TDP1ARALDH1A1LMNAPRKCA
Triacetin SCHEMBL3870 0.80 TDP1 (0.56) TDP1ARALDH1A1LMNAPRKCA
Triacetin SCHEMBL821340 0.80 TDP1 (0.56) TDP1ARALDH1A1LMNAPRKCA
SCHEMBL20793424 0.79 TDP1 (0.42) TDP1ARALDH1A1LMNAPRKCA
Triacetin SCHEMBL4367394 0.78 TDP1 (0.54) TDP1ARALDH1A1LMNAPRKCA
Triacetin SCHEMBL8012678 0.78 TDP1 (0.54) TDP1ARALDH1A1LMNAPRKCA
Triacetin SCHEMBL16446056 0.78 TDP1 (0.54) TDP1ARALDH1A1LMNAPRKCA
Triacetin SCHEMBL31301065 0.78 TDP1 (0.54) TDP1ARALDH1A1LMNAPRKCA

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
US-4150125-A HERPES VIRUS ABBOTT LABORATORIES (US) 1979-04-17 US disclosed