SCHEMBL21597902

SCHEMBL21597902

CC(=O)CC(=O)c1ccccc1.[Mn]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.70
MEN1 O00255 2/20 0.70
CYP3A4 P08684 2/20 0.70
HPGD P15428 2/20 0.70
MAPK1 P28482 2/20 0.70
MAPT P10636 2/20 0.70
TDP1 Q9NUW8 2/20 0.70
CES1 P23141 2/20 0.70
KDM4E B2RXH2 1/20 0.70
ALOX15 P16050 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
PTPN1 P18031 2/20 0.59
ERCC5 P28715 2/20 0.59
FEN1 P39748 2/20 0.59
ALDH1A1 P00352 2/20 0.55
HIF1A Q16665 2/20 0.55
PLOD2 O00469 2/20 0.55
PLOD3 O60568 1/20 0.55

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
Benzene SCHEMBL8209405 0.98 KMT2A (0.73) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL11373627 0.98 KMT2A (0.73) KMT2AMEN1CYP3A4HPGDMAPK1
Hydrogen Peroxide SCHEMBL28455182 0.98 KMT2A (0.73) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL15116 0.98 KMT2A (0.73) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL10878774 0.95 KMT2A (0.70) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL6319140 0.95 KMT2A (0.70) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL9279021 0.95 KMT2A (0.70) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL21597904 0.95 KMT2A (0.70) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL3201635 0.95 KMT2A (0.70) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL7596843 0.95 KMT2A (0.70) KMT2AMEN1CYP3A4HPGDMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810723-B1 COATING COMPOSITION PPG EUROPE B V (NL) 2024-02-21 EP disclosed
EP-3810723-A1 COATING COMPOSITION PPG Europe B.V. (NL) 2021-04-28 EP disclosed
WO-2019243546-A1 COATING COMPOSITION PPG EUROPE B.V. (NL) 2019-12-26 WO disclosed