SCHEMBL9117044

SCHEMBL9117044

CC(=O)OCC(CCO)(COC(C)=O)COC(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 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
SCHEMBL9115815 1.00 ALDH1A1 (0.31) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL9114561 0.87 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL9115523 0.76 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL9281453 0.73
SCHEMBL789859 0.73 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL13134458 0.72 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL309351 0.71 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL27756167 0.70 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10
SCHEMBL9261901 0.70 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL832777 0.69 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10TSHR

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
WO-1995022330-A1 ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-08-24 WO disclosed