SCHEMBL8770916

SCHEMBL8770916

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
F2 P00734 2/20 0.38
F10 P00742 2/20 0.38
TSHR P16473 1/20 0.38
ALOX15 P16050 1/20 0.36
TRPA1 O75762 1/20 0.35

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
SCHEMBL8770914 0.84 L3MBTL1 (0.43) ALDH1A1HTTMAPTL3MBTL1MEN1
SCHEMBL4764216 0.83 MAPT (0.47) ALDH1A1KDM4EHTTLMNAMAPT
SCHEMBL8770886 0.81 L3MBTL1 (0.38) ALDH1A1LMNAL3MBTL1
SCHEMBL30605867 0.81 L3MBTL1 (0.43) ALDH1A1MAPTL3MBTL1NPSR1F10
SCHEMBL8770972 0.81 L3MBTL1 (0.43) ALDH1A1MAPTL3MBTL1NPSR1F10
SCHEMBL8771122 0.80 SLC6A3 (0.49) ALDH1A1KDM4EHTTLMNAMAPT
SCHEMBL8771047 0.80 GPR35 (0.39) ALDH1A1KDM4EHTTLMNAMAPT
SCHEMBL8771004 0.79 CES2 (0.43) ALDH1A1KDM4EHTTLMNAMAPT
SCHEMBL8770917 0.78 ACHE (0.48) ALDH1A1HTTLMNAL3MBTL1TSHR
SCHEMBL4497421 0.78 KMT2A (0.49) ALDH1A1KDM4EHTTLMNAMAPT

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