SCHEMBL28033074

SCHEMBL28033074

CC(C)C(=O)OCC(=O)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 4/20 0.38
CHRNB2 P17787 4/20 0.38
CHRNA4 P43681 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CHRNB4 P30926 2/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.34
POLB P06746 2/20 0.33
STAT3 P40763 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL27577875 0.84 KDM4E (0.38) KDM4EALDH1A1CHRNB2CHRNA4L3MBTL1
SCHEMBL27415201 0.82 POLB (0.34) KDM4EALDH1A1CHRNB2CHRNA4L3MBTL1
SCHEMBL19991973 0.77 CHRNB2 (0.44) ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28522839 0.75 SMN1; SMN2 (0.41) KDM4EALDH1A1CHRNB2CHRNA4L3MBTL1
SCHEMBL10621262 0.75 ALDH1A1 (0.50) KDM4EALDH1A1CHRNB2CHRNA4L3MBTL1
SCHEMBL7810255 0.74 NPC1 (0.38) ALDH1A1L3MBTL1SMN1; SMN2NPC1POLB
SCHEMBL28479087 0.73 ALOX15 (0.52) KDM4EALDH1A1CHRNB2CHRNA4L3MBTL1
SCHEMBL9911438 0.73 CHRNB2 (0.39) KDM4EALDH1A1CHRNB2CHRNA4L3MBTL1
SCHEMBL11410695 0.73 KDM4E (0.40) KDM4EALDH1A1CHRNB2CHRNA4L3MBTL1
SCHEMBL8786680 0.73 ALDH1A1 (0.36) KDM4EALDH1A1CHRNB2CHRNA4L3MBTL1

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-105061433-A Synthetic method for 5-bromo-imidazo[1, 2-A]pyrimidine-3-carboxylate and corresponding acid thereof HENAN VIOLET TECHNOLOGY CO LTD 2015-11-18 CN disclosed