SCHEMBL8770878

SCHEMBL8770878

CCOC(=O)CC(O)c1cccc(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.68
AOC3 Q16853 2/20 0.54
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ROCK2 O75116 1/20 0.47
MTNR1B P49286 5/20 0.45
MTNR1A P48039 4/20 0.45
ALOX15 P16050 1/20 0.43

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
SCHEMBL8770883 0.87 L3MBTL1 (0.73) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL4115797 0.86 L3MBTL1 (0.52) L3MBTL1ALDH1A1TSHRMAPK1TDP1
SCHEMBL8770968 0.85 SMN1; SMN2 (0.50) L3MBTL1ALDH1A1TSHRMAPK1TDP1
SCHEMBL13724830 0.84 L3MBTL1 (0.55) L3MBTL1AOC3ALDH1A1TSHRMAPK1
Hydrochloric Acid SCHEMBL7189616 0.83 L3MBTL1 (0.53) L3MBTL1AOC3ALDH1A1TSHRMAPK1
SCHEMBL27553225 0.83 L3MBTL1 (0.77) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL27553226 0.83 L3MBTL1 (0.77) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL1369571 0.82 L3MBTL1 (0.52) L3MBTL1AOC3ALDH1A1TSHRMAPK1
SCHEMBL24643324 0.82 ALOX15 (0.57) L3MBTL1AOC3ALDH1A1ALOX15
SCHEMBL4811149 0.82 ALOX15 (0.57) L3MBTL1AOC3ALDH1A1ALOX15

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