SCHEMBL8955129

SCHEMBL8955129

CC(CO)C(=O)c1ccco1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
AGTR1 P30556 1/20 0.53
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
PTPN1 P18031 1/20 0.46
ALDH1A1 P00352 6/20 0.44
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
THRB P10828 1/20 0.44
APEX1 P27695 1/20 0.44
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 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
SCHEMBL8024733 0.85 POLB (0.53) POLBKMT2AMEN1AGTR1CES2
SCHEMBL28328942 0.81 POLB (0.56) POLBKMT2AMEN1AGTR1CES2
SCHEMBL28197369 0.81 POLB (0.56) POLBKMT2AMEN1AGTR1CES2
SCHEMBL28473094 0.81 KMT2A (0.49) POLBKMT2AMEN1AGTR1CES2
SCHEMBL1107037 0.80 KMT2A (0.60) POLBKMT2AMEN1AGTR1CES2
SCHEMBL28206336 0.79 POLB (0.59) POLBKMT2AMEN1AGTR1CES2
SCHEMBL28094278 0.79 KMT2A (0.50) POLBKMT2AMEN1AGTR1CES2
SCHEMBL2526234 0.79 KMT2A (0.63) POLBKMT2AMEN1AGTR1CES2
SCHEMBL18825668 0.77 GAA (0.48) POLBKMT2AMEN1AGTR1ALDH1A1
SCHEMBL18825667 0.77 GAA (0.48) POLBKMT2AMEN1AGTR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283524-B Beta-hydroxy ketone compound and synthesis method thereof 南京工业大学 2025-04-25 CN disclosed
CN-116283524-A Beta-hydroxy ketone compound and synthesis method thereof 南京工业大学 2023-06-23 CN disclosed
EP-0568819-B1 Process for the preparation of 3-(hydroxyphenyl)-propionaldehydes and optionally the preparation of 3-(hydroxyphenyl)-propanols BASF AG (DE) 1996-01-03 EP disclosed
US-5304685-A Preparation of 3-(hydroxyphenyl)propionaldehydes and their hydrogenation to 3-(hydroxyphenyl)propanols BASF AKTIENGESELLSCHAFT (DE) 1994-04-19 US disclosed
EP-0568819-A1 Process for the preparation of 3-(hydroxyphenyl)-propionaldehydes and optionally the preparation of 3-(hydroxyphenyl)-propanols BASF Aktiengesellschaft (DE) 1993-11-10 EP disclosed