SCHEMBL8770902

SCHEMBL8770902

CC(C)(C)OC(=O)CC(O)c1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
ADRB3 P13945 7/20 0.42
ADRB1 P08588 6/20 0.42
ADRB2 P07550 5/20 0.42
GLA P06280 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC2A1 P11166 1/20 0.40

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
SCHEMBL8770893 0.85 APP (0.39) CYP2D6
SCHEMBL13482971 0.84 ADRB3 (0.53) L3MBTL1ADRB3ADRB1ADRB2GLA
SCHEMBL30088535 0.84 ADRB3 (0.53) L3MBTL1ADRB3ADRB1ADRB2GLA
SCHEMBL8770895 0.84 ADRB3 (0.53) L3MBTL1ADRB3ADRB1ADRB2GLA
SCHEMBL8770896 0.83 L3MBTL1 (0.43) L3MBTL1
SCHEMBL8770988 0.83 CES2 (0.43) L3MBTL1
SCHEMBL8770867 0.82 ALDH1A1 (0.42)
SCHEMBL21656114 0.82 GABBR2 (0.41) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL8770922 0.82 AOC3 (0.42) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL8770863 0.82 L3MBTL1 (0.66) L3MBTL1

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