SCHEMBL9463531

SCHEMBL9463531

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
AR P10275 1/20 0.32
PRKCA P17252 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9463663 0.83 MAPK1 (0.38) MAPK1ALDH1A1PRKCA
SCHEMBL2466001 0.81 TDP1 (0.42) MAPK1ALDH1A1LMNAHSD17B10TDP1
SCHEMBL9019756 0.79 PRKCA (0.53) ALDH1A1LMNAHSD17B10TDP1AR
SCHEMBL9019825 0.78 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10TDP1PRKCA
SCHEMBL11258229 0.78 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10TDP1PRKCA
SCHEMBL9626733 0.77 ALDH1A1 (0.43) MAPK1ALDH1A1LMNAHSD17B10TDP1
SCHEMBL9019766 0.76 TSHR (0.36) ALDH1A1LMNAHSD17B10TDP1MEN1
SCHEMBL9019745 0.74 ALDH1A1 (0.47) ALDH1A1LMNAHSD17B10TDP1PRKCA
SCHEMBL9463774 0.74 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10TDP1AR
SCHEMBL9193268 0.74 TSHR (0.34) ALDH1A1LMNAHSD17B10TDP1MEN1

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
US-5225590-A Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1993-07-06 US disclosed
EP-0187297-B1 ALKOXY METHYL ETHER AND ALKOXY METHYL ESTER DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1991-08-21 EP disclosed
EP-0187297-A2 Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1986-07-16 EP disclosed