SCHEMBL31477014

SCHEMBL31477014

COC=C(C)c1cccc(C(C)(C)C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.39
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
CES1 P23141 1/20 0.37
CES2 O00748 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PTGDR Q13258 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KIF11 P52732 1/20 0.35
CYP26A1 O43174 1/20 0.34
CYP26B1 Q9NR63 1/20 0.34
MAP4K4 O95819 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL31477128 0.87 CNR1 (0.41) ACHECES2NPSR1L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL31477592 0.86 CNR1 (0.40) ACHECES2NPSR1L3MBTL1ALDH1A1
SCHEMBL2158786 0.77 RXRA (0.53) ACHEHSD17B10KIF11
SCHEMBL31477048 0.76 SLC7A5 (0.40)
SCHEMBL31292467 0.74 MAPT (0.53) ACHEL3MBTL1TSHRHSD17B10TDP1
SCHEMBL7488968 0.74 ATM (0.59) L3MBTL1ALDH1A1HSD17B10TDP1MAPT
Pivalate SCHEMBL31477388 0.74 SLC7A5 (0.38)
SCHEMBL9426280 0.72 ACHE (0.48) ACHEL3MBTL1ALDH1A1TSHRHSD17B10
SCHEMBL31422399 0.72 AKR1B1 (0.43) AKR1C3AKR1C2ALDH1A1TSHRTDP1
SCHEMBL31422560 0.72 AKR1B1 (0.43) AKR1C3AKR1C2ALDH1A1TSHRTDP1

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-2025085564-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed
WO-2025085554-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed