SCHEMBL5468798

SCHEMBL5468798

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

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.57
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 3/20 0.47
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46
CNR2 P34972 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL29161398 0.86 AOC3 (0.54) AOC3ALDH1A1MAPTL3MBTL1GAA
SCHEMBL24643324 0.85 ALOX15 (0.57) AOC3ALDH1A1MAPTL3MBTL1HTT
SCHEMBL4811149 0.85 ALOX15 (0.57) AOC3ALDH1A1MAPTL3MBTL1HTT
SCHEMBL8657041 0.85 MAPT (0.47) AOC3ALDH1A1MAPTGAAHTT
SCHEMBL4478662 0.84 FFAR1 (0.56) AOC3ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL8589119 0.84 L3MBTL1 (0.61) AOC3ALDH1A1L3MBTL1GAAHTT
SCHEMBL4484678 0.84 TAAR1 (0.52) ALDH1A1MAPTHTTNPSR1RAB9A
SCHEMBL17754960 0.84 RAB9A (0.51) AOC3ALDH1A1MAPTL3MBTL1GAA
SCHEMBL14042112 0.84 TAAR1 (0.52) ALDH1A1MAPTHTTNPSR1RAB9A
SCHEMBL4478666 0.84 FFAR1 (0.56) AOC3ALDH1A1MAPTL3MBTL1KMT2A

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
CN-105132478-A Method for producing (S)-hydroxymethoxy methyl phenylpropionate by virtue of penicilliums UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-12-09 CN disclosed
US-20070015943-A1 Method of preparation of optically active alcohols POSTECH FOUNDATION (KR) 2007-01-18 US disclosed
WO-2005009935-A1 METHOD OF PREPARATION OF OPTICALLY ACTIVE ALCOHOLS POSTECH FOUNDATION (KR) 2005-02-03 WO disclosed