SCHEMBL8770914

SCHEMBL8770914

COC(=O)CC(O)c1ccc(Br)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
STAT3 P40763 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL8770916 0.84 ALDH1A1 (0.42) L3MBTL1MAPTHTTALDH1A1MEN1
SCHEMBL8770886 0.83 L3MBTL1 (0.38) L3MBTL1ALDH1A1
SCHEMBL28823648 0.81 MEN1 (0.48) L3MBTL1MAPTRAB9AHTTALDH1A1
SCHEMBL8770907 0.81 MEN1 (0.48) L3MBTL1MAPTRAB9AHTTALDH1A1
SCHEMBL8770931 0.80 L3MBTL1 (0.37) L3MBTL1MAPTPOLB
SCHEMBL8770921 0.79 KCNA5 (0.50) L3MBTL1
SCHEMBL8770872 0.79 LMNA (0.49) L3MBTL1MAPTRAB9AHTTALDH1A1
SCHEMBL8771019 0.78 KCNA5 (0.38) L3MBTL1MAPTRAB9AHTTALDH1A1
SCHEMBL8771052 0.77 TNF (0.56) L3MBTL1ALDH1A1STAT3
SCHEMBL20967754 0.77 CES2 (0.45) L3MBTL1MAPTRAB9AHTTALDH1A1

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-0451668-B1 Process for the production of optically active alkyl 3-aryl-3-hydroxypropionates CHISSO CORP (JP) 1997-08-13 EP disclosed
US-5202457-A Enzyme catalyzed transesterification, resolution of optical active alkyl 3-aryl-3-hydroxypropionate CHISSO CORPORATION (JP) 1993-04-13 US disclosed
EP-0451668-A2 Optically active alkyl 3-aryl-3-hydroxypropionates and a method for producing thereof CHISSO CORPORATION (JP) 1991-10-16 EP disclosed