SCHEMBL31422467

SCHEMBL31422467

COc1ccc(CC=O)cc1CC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.62
GAA P10253 3/20 0.54
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
CA5A P35218 1/20 0.48
PPARA Q07869 2/20 0.45
PTGS1 P23219 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
LDHA P00338 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
PPARG P37231 1/20 0.42

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
SCHEMBL31422450 0.89 GAA (0.60) HSD17B10GAANPSR1ALDH1A1TDP1
SCHEMBL8476790 0.83 HSD17B10 (0.64) HSD17B10GAANPSR1ALDH1A1TDP1
SCHEMBL24021272 0.82 ALDH1A1 (0.49) ALDH1A1TSHRPPARAPTGS1CYP3A4
SCHEMBL31477109 0.81 HSD17B10 (0.40) HSD17B10GAANPSR1
SCHEMBL30285852 0.79 HSD17B10 (0.64) HSD17B10GAANPSR1ALDH1A1TDP1
SCHEMBL12635572 0.79 HSD17B10 (0.64) HSD17B10GAANPSR1ALDH1A1TDP1
SCHEMBL31422550 0.79 SRC (0.46) HSD17B10GAANPSR1ALDH1A1TDP1
SCHEMBL1557719 0.79 ALDH1A1 (0.46) ALDH1A1TSHRPPARAPTGS1CYP3A4
SCHEMBL24021298 0.79 GAA (0.68) HSD17B10GAANPSR1ALDH1A1TDP1
SCHEMBL7093110 0.78 ALDH1A1 (0.67) HSD17B10GAAALDH1A1MEN1KMT2A

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
WO-2025085560-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed
WO-2025085564-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed