SCHEMBL8947469

SCHEMBL8947469

CCCC(=O)OC(C)CC(=O)OC(CO)CO

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 2/20 0.45
FAAH O00519 1/20 0.45
HPGD P15428 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
PRKCA P17252 4/20 0.45
PRKCE Q02156 2/20 0.45
PRKCQ Q04759 2/20 0.45
PRKCD Q05655 2/20 0.45
LMNA P02545 2/20 0.38

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
SCHEMBL76959 0.87 MAPT (0.70) MAPTMAPK1ALDH1A1FAAHHPGD
SCHEMBL25297547 0.82 MAPT (0.40) MAPTMAPK1ALDH1A1PRKCAPRKCE
SCHEMBL25291988 0.82 MAPT (0.40) MAPTMAPK1ALDH1A1FAAHHPGD
SCHEMBL393403 0.81 CYP1A2 (0.41) MAPTMAPK1ALDH1A1FAAHCNR1
SCHEMBL393404 0.81 CYP1A2 (0.41) MAPTMAPK1ALDH1A1FAAHCNR1
SCHEMBL1245755 0.81 ALDH1A1 (0.48) MAPTMAPK1ALDH1A1FAAHHPGD
SCHEMBL8973706 0.79 MAPT (0.60) MAPTMAPK1ALDH1A1FAAHHPGD
SCHEMBL9656170 0.78 ALDH1A1 (0.41) MAPTMAPK1ALDH1A1PRKCAPRKCE
SCHEMBL9656163 0.78 ALDH1A1 (0.41) MAPTMAPK1ALDH1A1PRKCAPRKCE
SCHEMBL25465321 0.78 ALDH1A1 (0.49) MAPTALDH1A1PRKCAPRKCEPRKCQ

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-5519161-A Nutritive glycerol esters of β-acyloxy butyrates BIRKHAHN RONALD H (US) 1996-05-21 US disclosed