SCHEMBL11389461

SCHEMBL11389461

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

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL11389617 0.83 ALDH1A1 (0.39) GAAALDH1A1
SCHEMBL8003162 0.79 GAA (0.33) GAA
SCHEMBL21847351 0.77 GAA (0.37) GAAALDH1A1
SCHEMBL1171389 0.69 GAA (0.31) GAA
SCHEMBL16620222 0.68 CTSK (0.38) GAA
SCHEMBL27518350 0.67 GAA (0.40) GAAALDH1A1LMNAHSD17B10
SCHEMBL27527922 0.67 THRB (0.37) ALDH1A1
SCHEMBL27519280 0.67 THRB (0.36) ALDH1A1
SCHEMBL29144857 0.66 TSHR (0.37) ALDH1A1HSD17B10
SCHEMBL1270028 0.65

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4301084-A Process for the preparation of carboxylic acid esters of β-formyl-crotyl alcohol by an allyl rearrangement BASF AKTIENGESELLSCHAFT (DE) 1981-11-17 US disclosed
EP-0009159-B1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS OF BETA-FORMYL-CROTYLIC ALCOHOL BY AN ALLYL TRANSPOSITION BASF Aktiengesellschaft (DE) 1981-09-23 EP disclosed