SCHEMBL27553231

SCHEMBL27553231

COc1ccc(C(O)CC(C)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
FFAR1 O14842 1/20 0.46
LDHA P00338 1/20 0.46
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45

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
SCHEMBL4478666 0.87 FFAR1 (0.56) AOC3L3MBTL1ALDH1A1MAPTFFAR1
SCHEMBL4478662 0.87 FFAR1 (0.56) AOC3L3MBTL1ALDH1A1MAPTFFAR1
SCHEMBL5468798 0.85 AOC3 (0.57) AOC3L3MBTL1ALDH1A1MAPTFFAR1
SCHEMBL3443782 0.85 L3MBTL1 (0.67) AOC3L3MBTL1ALDH1A1MAPTFFAR1
SCHEMBL38651836 0.84 AKR1C3 (0.58) L3MBTL1MAPT
SCHEMBL60543 0.84 AKR1C3 (0.58) L3MBTL1MAPT
SCHEMBL3829766 0.84 L3MBTL1 (0.62) AOC3L3MBTL1ALDH1A1MAPTGAA
SCHEMBL628797 0.82 LMNA (0.56) L3MBTL1ALDH1A1FFAR1LDHAGAA
SCHEMBL29700753 0.82 AOC3 (0.57) AOC3L3MBTL1ALDH1A1MAPT
SCHEMBL29161398 0.82 AOC3 (0.54) AOC3L3MBTL1ALDH1A1MAPTFFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1331835-C Preparation method of optically active beta-hydroxy ketone UNIV WUHAN (CN) 2007-08-15 CN disclosed
CN-1785950-A Preparation method of optically active beta-hydroxy ketone UNIV WUHAN (CN) 2006-06-14 CN disclosed