SCHEMBL31246157

SCHEMBL31246157

CC(CCO)CC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SLC15A1 P46059 2/20 0.52
MMP9 P14780 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CDC25B P30305 1/20 0.44
ABCB1 P08183 1/20 0.43
TSHR P16473 1/20 0.42
TRPA1 O75762 1/20 0.42
LMNA P02545 2/20 0.42
ATM Q13315 1/20 0.42
HCAR2 Q8TDS4 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
SCHEMBL10047602 0.87 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL3741541 0.87 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL27498342 0.85 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL20793265 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL19007853 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL14959576 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL18196803 0.84 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL30884891 0.84 SLC15A1 (0.49) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL28515555 0.84 SLC15A1 (0.49) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9
SCHEMBL7365728 0.83 SLC15A1 (0.57) ALDH1A1MAPK1L3MBTL1SLC15A1MMP9

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
EP-4713320-A2 BCAT2 INHIBITORS Agios Pharmaceuticals, Inc. (US) 2026-03-25 EP disclosed
WO-2024238820-A2 BCAT2 INHIBITORS AGIOS PHARMACEUTICALS, INC. (US) 2024-11-21 WO disclosed