SCHEMBL3226019

SCHEMBL3226019

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 1.00
POLB P06746 2/20 0.64
THRB P10828 2/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 1/20 0.62
HSP90AA1 P07900 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.49
PKM P14618 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
SCHEMBL3228715 0.89 MAPT (0.80) MAPTPOLBTHRBKMT2AALDH1A1
SCHEMBL3263844 0.87 MAPT (0.82) MAPTPOLBTHRBKMT2AALDH1A1
SCHEMBL3215772 0.86 MAPT (0.80) MAPTPOLBTHRBKMT2AALDH1A1
SCHEMBL3215666 0.85 MAPT (0.74) MAPTPOLBTHRBKMT2AALDH1A1
SCHEMBL3260219 0.81 MAPT (0.71) MAPTPOLBTHRBKMT2AALDH1A1
SCHEMBL3218859 0.81 MAPT (0.81) MAPTPOLBTHRBKMT2AALDH1A1
SCHEMBL3264732 0.80 MAPT (1.00) MAPTPOLBTHRBKMT2AALDH1A1
SCHEMBL3262032 0.79 MAPT (1.00) MAPTPOLBTHRBKMT2AALDH1A1
SCHEMBL3264281 0.79 MAPT (0.83) MAPTPOLBTHRBKMT2AALDH1A1
SCHEMBL3219024 0.79 MAPT (0.68) MAPTPOLBTHRBKMT2AALDH1A1

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