SCHEMBL8330625

SCHEMBL8330625

CC(C)CC(=O)c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.54
GSK3B P49841 3/20 0.52
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
PTPN1 P18031 2/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4770340 0.94 GSK3B (0.57) HAO1GSK3BHDAC1HDAC8KMT2A
SCHEMBL11373953 0.84 HAO1 (0.50) HAO1GSK3BHDAC1HDAC8KMT2A
SCHEMBL2739301 0.83 MAPT (0.63) HAO1GSK3BKMT2AMEN1PTPN1
SCHEMBL8987897 0.79 SMN1; SMN2 (0.68) HAO1GSK3BHDAC1HDAC8KMT2A
SCHEMBL17148448 0.78 KMT2A (0.52) KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL5255481 0.78 GSK3B (0.52) HAO1GSK3BHDAC1HDAC8KMT2A
SCHEMBL11161484 0.78 KMT2A (0.57) HAO1GSK3BHDAC1HDAC8KMT2A
SCHEMBL5255476 0.78 GSK3B (0.55) HAO1GSK3BHDAC1HDAC8KMT2A
SCHEMBL2452141 0.78 HDAC1 (0.57) HAO1GSK3BHDAC1HDAC8KMT2A
SCHEMBL9422398 0.77 ALDH1A1 (0.50) KMT2AMEN1MAPTL3MBTL1

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-1999001446-A1 NOVEL 4-HYDROXY-2H-1-(THIO)PYRAN-2-ONES DERIVATIVES AND THEIR USE AS RAT POISON LIPHATEC (FR) 1999-01-14 WO disclosed