SCHEMBL6662119

SCHEMBL6662119

CC(C)C(NC(=O)c1ccccc1)C(=O)NCC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSPA5 P11021 1/20 0.49
HSPA9 P38646 1/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 2/20 0.48
PTPRC P08575 2/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.46
ADAM17 P78536 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
SCHEMBL6662122 1.00 KMT2A (0.54) KMT2AALDH1A1MEN1L3MBTL1SMN1; SMN2
SCHEMBL6659071 0.84 KMT2A (0.58) KMT2AALDH1A1MEN1L3MBTL1SMN1; SMN2
SCHEMBL6659077 0.84 KMT2A (0.58) KMT2AALDH1A1MEN1L3MBTL1SMN1; SMN2
SCHEMBL1505297 0.81 CTSS (0.59) KMT2AALDH1A1MEN1CTSSCTSK
SCHEMBL4075735 0.81 ALDH1A1 (0.61) KMT2AALDH1A1MEN1L3MBTL1SMN1; SMN2
SCHEMBL17848995 0.81 MEP1B (0.47) ALDH1A1ADAM17
SCHEMBL6084716 0.80 PTPRC (0.62) L3MBTL1SMN1; SMN2LMNAPTPRCPOLB
SCHEMBL10939921 0.79 PTPRC (0.45) KMT2AALDH1A1MEN1L3MBTL1PTPRC
SCHEMBL8972436 0.77 RAB9A (0.52) KMT2AALDH1A1MEN1SMN1; SMN2HTT
SCHEMBL9830087 0.76 KMT2A (0.50) KMT2AALDH1A1MEN1L3MBTL1SMN1; SMN2

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-2004007417-A1 ENZYME INHIBITORS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2004-01-22 WO disclosed