SCHEMBL1042823

SCHEMBL1042823

CC(=O)C(C)(O)COc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
MTNR1A P48039 4/20 0.46
MTNR1B P49286 4/20 0.46
AR P10275 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.44
PPARA Q07869 1/20 0.44
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
SSTR4 P31391 1/20 0.43
PKM P14618 1/20 0.42
MAOB P27338 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41

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
Acetone SCHEMBL1045404 0.98 ALOX15 (0.46) ALOX15MTNR1AMTNR1BARL3MBTL1
SCHEMBL1045116 0.92 ALOX15 (0.49) ALOX15MTNR1AMTNR1BARL3MBTL1
SCHEMBL7805112 0.87 PPARA (0.49) ALOX15MTNR1AMTNR1BARL3MBTL1
SCHEMBL12392890 0.82 APP (0.42) ARL3MBTL1
SCHEMBL12392886 0.82 MAOA (0.47) ARL3MBTL1PPARASSTR4MAOB
SCHEMBL12733054 0.82 MAOA (0.47) ARL3MBTL1PPARASSTR4MAOB
SCHEMBL12392883 0.82 MAOB (0.47) ARSSTR4MAOB
SCHEMBL12392895 0.82 MAOB (0.47) ARSSTR4MAOB
SCHEMBL12392888 0.82 MAOB (0.47) ARMAOBMAPT
SCHEMBL12733066 0.82 PTPN7 (0.53) HPGDPPARARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110097766-A1 1,2 - ADDITION OF CARBONYL COMPOUNDS USING THE ENZYME YERE ALBERT-LUDGWIGS-UNIVERSITÄT FREIBURG (DE) 2011-04-28 US disclosed
US-20110097766-A1 1,2 - ADDITION OF CARBONYL COMPOUNDS USING THE ENZYME YERE ALBERT-LUDGWIGS-UNIVERSITÄT FREIBURG (DE) 2011-04-28 US disclosed
US-20110097766-A1 1,2 - ADDITION OF CARBONYL COMPOUNDS USING THE ENZYME YERE ALBERT-LUDGWIGS-UNIVERSITÄT FREIBURG (DE) 2011-04-28 US disclosed
EP-2274434-A1 1, 2 ADDITION OF CARBONYL COMPOUNDS USING THE ENZYME YERE Albert-Ludwigs-Universität Freiburg (DE) 2011-01-19 EP disclosed
WO-2009138439-A1 1, 2 – ADDITION OF CARBONYL COMPOUNDS USING THE ENZYME YERE ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-11-19 WO disclosed
WO-2009138439-A1 1, 2 – ADDITION OF CARBONYL COMPOUNDS USING THE ENZYME YERE ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-11-19 WO disclosed
EP-2119790-A1 1,2-addition of carbonyl compounds employing the enzyme YerE Albert-Ludwigs-Universität Freiburg (DE) 2009-11-18 EP disclosed
EP-2119790-A1 1,2-addition of carbonyl compounds employing the enzyme YerE Albert-Ludwigs-Universität Freiburg (DE) 2009-11-18 EP disclosed