SCHEMBL3228715

SCHEMBL3228715

COc1cccc(NC(=O)CC2C(=O)OCCN2Cc2ccccc2)c1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.80
THRB P10828 2/20 0.70
USP2 O75604 1/20 0.54
POLB P06746 2/20 0.53
RAB9A P51151 2/20 0.52
TP53 P04637 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HSP90AA1 P07900 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL3226019 0.89 MAPT (1.00) MAPTTHRBPOLBALDH1A1HSP90AA1
SCHEMBL3211542 0.87 MAPT (0.74) MAPTTHRBPOLBRAB9AALDH1A1
SCHEMBL3226493 0.82 MAPT (0.69) MAPTTHRBPOLBRAB9AALDH1A1
SCHEMBL3215666 0.77 MAPT (0.74) MAPTTHRBPOLBALDH1A1HSP90AA1
SCHEMBL3263844 0.77 MAPT (0.82) MAPTTHRBPOLBALDH1A1HSP90AA1
SCHEMBL3262164 0.76 MAPT (0.67) MAPTTHRBPOLBALDH1A1HSP90AA1
SCHEMBL3215772 0.76 MAPT (0.80) MAPTTHRBPOLBALDH1A1HSP90AA1
SCHEMBL3220058 0.75 MAPT (0.60) MAPTTHRBPOLBALDH1A1HSP90AA1
Oxirane SCHEMBL29014918 0.73 USP2 (0.87) MAPTUSP2POLBRAB9AALDH1A1
SCHEMBL27487690 0.71 USP2 (1.00) MAPTUSP2POLBRAB9AALDH1A1

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