SCHEMBL28079414

SCHEMBL28079414

C=C(CC(=O)c1ccc(Br)cc1)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.48
HAO1 Q9UJM8 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL6511539 0.82 HAO1 (0.59) GSK3BHAO1HDAC1HDAC8HDAC3
SCHEMBL7036214 0.82 KMT2A (0.57) GSK3BKMT2AMAPTMEN1RAB9A
SCHEMBL10649708 0.80 HAO1 (0.61) GSK3BHAO1HDAC1HDAC8HDAC3
Benzene SCHEMBL11711818 0.79 HAO1 (0.59) GSK3BHAO1HDAC1HDAC8HDAC3
SCHEMBL11827259 0.78 GSK3B (0.55) GSK3BHAO1HDAC1HDAC8HDAC3
SCHEMBL536908 0.78 MEN1 (0.48) GSK3BHDAC1HDAC3HDAC2KMT2A
SCHEMBL11222224 0.78 HAO1 (0.68) GSK3BHAO1HDAC1HDAC8HDAC3
SCHEMBL8215730 0.77 L3MBTL1 (0.51) KMT2AMAPTMEN1LMNAHPGD
SCHEMBL1305020 0.77 GSK3B (0.70) GSK3BHAO1HDAC1HDAC8HDAC3
SCHEMBL28169381 0.75 MAPT (0.70) GSK3BHDAC1HDAC8HDAC3HDAC4

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-104212843-B A kind of method of saccharomyces cerevisiae also original production bromophenyl methyl propionate 青岛科技大学 2016-08-24 CN claimed
CN-104212843-B A kind of method of saccharomyces cerevisiae also original production bromophenyl methyl propionate 青岛科技大学 2016-08-24 CN disclosed