SCHEMBL3215772

SCHEMBL3215772

CCN1CCOC(=O)C1CC(=O)Nc1cccc(C)c1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.80
POLB P06746 1/20 0.68
THRB P10828 2/20 0.66
ALDH1A1 P00352 2/20 0.65
KMT2A Q03164 2/20 0.65
HSP90AA1 P07900 1/20 0.65
MEN1 O00255 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 1/20 0.49

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
SCHEMBL3211542 0.89 MAPT (0.74) MAPTPOLBTHRBALDH1A1KMT2A
SCHEMBL3215666 0.88 MAPT (0.74) MAPTPOLBTHRBALDH1A1KMT2A
SCHEMBL3264281 0.86 MAPT (0.83) MAPTPOLBTHRBALDH1A1KMT2A
SCHEMBL3226019 0.86 MAPT (1.00) MAPTPOLBTHRBALDH1A1KMT2A
SCHEMBL3221557 0.85 MAPT (0.79) MAPTPOLBTHRBALDH1A1KMT2A
SCHEMBL3219024 0.82 MAPT (0.68) MAPTPOLBTHRBALDH1A1KMT2A
SCHEMBL3218859 0.81 MAPT (0.81) MAPTPOLBTHRBALDH1A1KMT2A
SCHEMBL3216606 0.80 MAPT (0.74) MAPTPOLBTHRBALDH1A1KMT2A
SCHEMBL3263844 0.79 MAPT (0.82) MAPTPOLBTHRBALDH1A1KMT2A
SCHEMBL3216521 0.79 MAPT (0.78) MAPTPOLBTHRBALDH1A1KMT2A

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