SCHEMBL1045194

SCHEMBL1045194

CC(=O)C(O)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.53
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
AOC3 Q16853 1/20 0.44
CYP2D6 P10635 1/20 0.43
NFKB1 P19838 1/20 0.43
HIF1A Q16665 1/20 0.43
BLM P54132 1/20 0.42
ACP3 P15309 1/20 0.42
GLS O94925 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
CXCL8 P10145 3/20 0.39
NISCH Q9Y2I1 1/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL1043659 1.00 CASP1 (0.53) CASP1ADRB2ADRB1AOC3CYP2D6
SCHEMBL30799810 1.00 CASP1 (0.53) CASP1ADRB2ADRB1AOC3CYP2D6
SCHEMBL29465008 0.81 LMNA (0.52) CASP1ADRB2ADRB1AOC3CYP2D6
SCHEMBL29398319 0.81 LMNA (0.52) CASP1ADRB2ADRB1AOC3CYP2D6
SCHEMBL28162815 0.81 LMNA (0.52) CASP1ADRB2ADRB1AOC3CYP2D6
SCHEMBL24732 0.81 LMNA (0.52) CASP1ADRB2ADRB1AOC3CYP2D6
SCHEMBL24733 0.81 LMNA (0.52) CASP1ADRB2ADRB1AOC3CYP2D6
SCHEMBL197618 0.81 LMNA (0.52) CASP1ADRB2ADRB1AOC3CYP2D6
SCHEMBL29501895 0.81 LMNA (0.52) CASP1ADRB2ADRB1AOC3CYP2D6
SCHEMBL28162814 0.81 LMNA (0.52) CASP1ADRB2ADRB1AOC3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117683820-A Method for preparing aromatic alpha-hydroxy ketone by utilizing acetohydroxy acid synthase 厦门大学 2024-03-12 CN claimed
CN-117683820-A Method for preparing aromatic alpha-hydroxy ketone by utilizing acetohydroxy acid synthase 厦门大学 2024-03-12 CN 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
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