SCHEMBL28046807

SCHEMBL28046807

CCOC(=O)C(CN(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.50
LMNA P02545 3/20 0.50
POLB P06746 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.50
PIN1 Q13526 1/20 0.45
NPC1 O15118 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MMP8 P22894 1/20 0.43
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL25181400 0.87 EPOR (0.52) L3MBTL1LMNAPOLBALDH1A1HSD17B10
SCHEMBL3632576 0.86 L3MBTL1 (0.54) L3MBTL1LMNAPOLBALDH1A1HSD17B10
SCHEMBL25060413 0.85 ALDH1A1 (0.52) L3MBTL1LMNAPOLBALDH1A1HSD17B10
SCHEMBL31489074 0.85 L3MBTL1 (0.52) L3MBTL1LMNAPOLBALDH1A1HSD17B10
SCHEMBL23027133 0.85 ALDH1A1 (0.52) L3MBTL1LMNAPOLBALDH1A1HSD17B10
SCHEMBL13064940 0.85 L3MBTL1 (0.52) L3MBTL1LMNAPOLBALDH1A1HSD17B10
SCHEMBL25190234 0.84 LMNA (0.43) L3MBTL1LMNAPOLBALDH1A1HSD17B10
SCHEMBL15529683 0.83 L3MBTL1 (0.54) L3MBTL1LMNAPOLBALDH1A1HSD17B10
SCHEMBL2516270 0.82 L3MBTL1 (0.52) L3MBTL1LMNAPOLBALDH1A1HSD17B10
SCHEMBL2516271 0.82 L3MBTL1 (0.52) L3MBTL1LMNAPOLBALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105130834-B A kind of preparation method of β amidos alpha amino acid ester derivative 中国科学院兰州化学物理研究所 2017-06-23 CN disclosed
CN-105130834-A Preparation method of beta-amido-alpha-amino-acid ester derivative LANZHOU CHEM PHYS INST 2015-12-09 CN disclosed