SCHEMBL10076815

SCHEMBL10076815

CC(C)c1cccc(C(C)OC(=O)Nc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
FADS1 O60427 1/20 0.47
KLK7 P49862 1/20 0.47
MTOR P42345 1/20 0.47
GRM5 P41594 4/20 0.45
HSD17B10 Q99714 1/20 0.45
CA2 P00918 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
LPAR1 Q92633 2/20 0.44
LPAR3 Q9UBY5 1/20 0.44

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
SCHEMBL28568899 0.88 KLK7 (0.54) KMT2AMEN1MAPTKLK7MTOR
SCHEMBL28571893 0.88 KLK7 (0.54) KMT2AMEN1MAPTKLK7MTOR
SCHEMBL10076917 0.87 MAPT (0.50) KMT2AMEN1MAPTHPGDALOX15
SCHEMBL27539120 0.81 ALDH1A1 (0.51) KMT2AMEN1MAPTHPGDALOX15
SCHEMBL25820324 0.80 HPGD (0.68) KMT2AMEN1MAPTHPGDALOX15
SCHEMBL27449199 0.80 MTOR (0.61) KMT2AMEN1MAPTHPGDALOX15
SCHEMBL27450197 0.80 HPGD (0.72) KMT2AMEN1MAPTHPGDALOX15
SCHEMBL10076825 0.79 KMT2A (0.62) KMT2AMEN1MAPTBCHEACHE
SCHEMBL27539123 0.79 TSHR (0.60) KMT2AMEN1MAPT
SCHEMBL8126585 0.79 ALDH1A1 (0.52) KMT2AMEN1MAPTGRM5LPAR1

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
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed