SCHEMBL3264732

SCHEMBL3264732

CCOc1ccc(NC(=O)CC2C(=O)OCCN2CC)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 1.00
POLB P06746 2/20 0.74
ALDH1A1 P00352 3/20 0.74
KMT2A Q03164 2/20 0.74
HSP90AA1 P07900 1/20 0.74
THRB P10828 1/20 0.57
LMNA P02545 1/20 0.49
MEN1 O00255 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
SCHEMBL3263844 0.90 MAPT (0.82) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL3262032 0.86 MAPT (1.00) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL3264281 0.86 MAPT (0.83) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL3218859 0.85 MAPT (0.81) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL3216521 0.83 MAPT (0.78) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL3226019 0.80 MAPT (1.00) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL3215772 0.78 MAPT (0.80) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL13534780 0.78 MAPT (0.68) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL3260219 0.77 MAPT (0.71) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL3219024 0.77 MAPT (0.68) MAPTPOLBALDH1A1KMT2AHSP90AA1

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 claimed