SCHEMBL28820146

SCHEMBL28820146

CC(=O)C(C(=O)OCC(C)C)=C(NCc1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CACNA1C Q13936 1/20 0.42
SCN9A Q15858 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL28820145 1.00 KMT2A (0.46) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL28020416 0.86 PPID (0.50) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL28020411 0.86 PPID (0.50) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL28020080 0.85 KMT2A (0.48) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL28020076 0.85 KMT2A (0.48) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL28019983 0.80 CYP2C9 (0.50) KMT2AMEN1MAPTALDH1A1HDAC1
SCHEMBL28019981 0.80 CYP2C9 (0.50) KMT2AMEN1MAPTALDH1A1HDAC1
SCHEMBL28020432 0.80 LMNA (0.45) KMT2AALDH1A1CA12CA1CA7
SCHEMBL28020429 0.80 LMNA (0.45) KMT2AALDH1A1CA12CA1CA7
SCHEMBL6237639 0.75 ALDH1A1 (0.57) KMT2AMEN1MAPTALDH1A1L3MBTL1

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
CN-103910644-B Beta-enaminone ester compounds, and synthesis method and application of beta-enaminone ester compounds UNIV GUANGXI NORMAL 2015-06-24 CN disclosed