SCHEMBL8087779

SCHEMBL8087779

CC(=O)CC(=O)Nc1ccc(C)cc1C.CC(=O)CC(=O)Nc1ccccc1C.CC(=O)CC(=O)Nc1ccccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MEN1 O00255 3/20 0.58
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 2/20 0.53
NOD2 Q9HC29 1/20 0.53
ALDH1A1 P00352 4/20 0.52
RAB9A P51151 3/20 0.52
LMNA P02545 3/20 0.52
NPC1 O15118 2/20 0.52
TP53 P04637 2/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.52
ALOX15 P16050 1/20 0.52
HTT P42858 1/20 0.51
POLB P06746 1/20 0.51
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL29437944 0.84 KMT2A (0.73) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL252897 0.84 KMT2A (0.73) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL295936 0.84 KMT2A (0.83) KMT2AMEN1MAPK1SMN1; SMN2MAPT
SCHEMBL7820897 0.83 ALDH1A1 (0.57) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
Water SCHEMBL29951135 0.82 KMT2A (0.71) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL382223 0.81 RAB9A (0.67) MAPK1SMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL30065998 0.81 RAB9A (0.67) MAPK1SMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL11055197 0.80 KMT2A (0.51) KMT2AMEN1SMN1; SMN2MAPTNOD2
SCHEMBL9312746 0.76 KMT2A (1.00) KMT2AMEN1MAPK1SMN1; SMN2MAPT
SCHEMBL1577190 0.75 HDAC3 (0.62) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA

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
JP-2000034419-A ADDITIVE FOR DISAZO PIGMENT AND PIGMENT COMPOSITION DAINIPPON INK & CHEM INC 2000-02-02 JP disclosed