SCHEMBL3226076

SCHEMBL3226076

CCN1CCOC(=O)C1CC(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.58
POLB P06746 1/20 0.57
THRB P10828 2/20 0.56
ALDH1A1 P00352 1/20 0.55
HSP90AA1 P07900 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BRD4 O60885 1/20 0.37

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
SCHEMBL3216164 0.83 MAPT (0.59) MAPTPOLBTHRBALDH1A1HSP90AA1
SCHEMBL3263844 0.77 MAPT (0.82) MAPTPOLBTHRBALDH1A1HSP90AA1
SCHEMBL2011940 0.75 BRD4 (0.39) MAPTPOLBTHRBALDH1A1HSP90AA1
SCHEMBL2014758 0.75 BRD4 (0.39) MAPTPOLBTHRBALDH1A1HSP90AA1
SCHEMBL3260219 0.75 MAPT (0.71) MAPTPOLBTHRBALDH1A1HSP90AA1
SCHEMBL3264281 0.74 MAPT (0.83) MAPTPOLBTHRBALDH1A1HSP90AA1
SCHEMBL3262032 0.74 MAPT (1.00) MAPTPOLBTHRBALDH1A1HSP90AA1
SCHEMBL3226019 0.73 MAPT (1.00) MAPTPOLBTHRBALDH1A1HSP90AA1
SCHEMBL3264732 0.73 MAPT (1.00) MAPTPOLBTHRBALDH1A1HSP90AA1
SCHEMBL3218859 0.73 MAPT (0.81) MAPTPOLBTHRBALDH1A1HSP90AA1

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-2010003197-A1 MORPHOLINE DERIVATIVES USED AS ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-01-14 WO disclosed