SCHEMBL8770907

SCHEMBL8770907

COC(=O)CC(O)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 2/20 0.46
CYP1A2 P05177 2/20 0.46
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 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
SCHEMBL28823648 1.00 MEN1 (0.48) MEN1KMT2APOLBHPGDCYP1A2
SCHEMBL14042112 0.84 TAAR1 (0.52) ALDH1A1MAPTRAB9AHTT
SCHEMBL28827835 0.84 MAPT (0.47) L3MBTL1ALDH1A1MAPTRAB9AHTT
SCHEMBL4484678 0.84 TAAR1 (0.52) ALDH1A1MAPTRAB9AHTT
SCHEMBL38660016 0.84 MEN1 (0.49) MEN1KMT2APOLBHPGDCYP1A2
SCHEMBL4486192 0.84 TAAR1 (0.52) ALDH1A1MAPTRAB9AHTT
SCHEMBL16070980 0.83 HPGD (0.51) MEN1KMT2APOLBHPGDCYP1A2
SCHEMBL4764216 0.83 MAPT (0.47) MEN1KMT2AHPGDCYP1A2ALDH1A1
SCHEMBL2518925 0.83 HPGD (0.51) MEN1KMT2APOLBHPGDCYP1A2
SCHEMBL5468798 0.82 AOC3 (0.57) MEN1KMT2AL3MBTL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105039435-A Method for producing (S)-bromobenzene methyl lactate through yeast UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-11 CN claimed
CN-105039435-A Method for producing (S)-bromobenzene methyl lactate through yeast UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-11 CN disclosed
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