SCHEMBL8770867

SCHEMBL8770867

CC(C)(C)OC(=O)CC(O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F2R P25116 2/20 0.41
SLC6A3 Q01959 2/20 0.39
FFAR1 O14842 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP26A1 O43174 1/20 0.38

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
SCHEMBL8770922 0.84 AOC3 (0.42) LMNA
SCHEMBL8903606 0.83 GABBR2 (0.42) ALDH1A1LMNAHTTSMN1; SMN2SLC6A3
SCHEMBL8770872 0.83 LMNA (0.49) ALDH1A1LMNAHTTSMN1; SMN2SLC6A3
SCHEMBL8770902 0.82 L3MBTL1 (0.43)
SCHEMBL1457021 0.82 SLC6A3 (0.46) ALDH1A1LMNAHTTSMN1; SMN2SLC6A3
SCHEMBL8903295 0.82 ALDH1A1 (0.38) ALDH1A1LMNAHTTSMN1; SMN2SLC6A3
SCHEMBL8770893 0.81 APP (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8770874 0.81 APP (0.42) SLC6A3
SCHEMBL8770886 0.81 L3MBTL1 (0.38) ALDH1A1LMNAHDAC3HDAC1HDAC2
SCHEMBL30524647 0.80 F2R (0.43) ALDH1A1LMNAHTTSMN1; SMN2F2R

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