SCHEMBL24946290

SCHEMBL24946290

CC(C)(C)OC(=O)Nc1ccc(CC(C(=O)O)N(CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.50
PPARA Q07869 1/20 0.50
CYP17A1 P05093 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.45
ADAMTS4 O75173 1/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
ITGB1 P05556 1/20 0.41
ITGAV P06756 1/20 0.41
ITGB5 P18084 1/20 0.41
DRD2 P14416 1/20 0.40
MAPK14 Q16539 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
GLS O94925 1/20 0.40
ATM Q13315 1/20 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
SCHEMBL24946291 0.85 L3MBTL1 (0.44) ATMCTSSCTSK
SCHEMBL21689917 0.78 PPARG (0.55) PPARGPPARACYP17A1PTGDR2ADAMTS4
SCHEMBL2403143 0.78 PPARG (0.55) PPARGPPARACYP17A1PTGDR2ADAMTS4
SCHEMBL24945921 0.78 MAPT (0.46) PPARGPPARACYP17A1DRD2HDAC8
SCHEMBL2398906 0.78 PPARG (0.55) PPARGPPARACYP17A1PTGDR2ADAMTS4
SCHEMBL2309189 0.78 PPARG (0.55) PPARGPPARACYP17A1PTGDR2ADAMTS4
SCHEMBL2617177 0.78 PPARG (0.55) PPARGPPARACYP17A1PTGDR2ADAMTS4
SCHEMBL24324458 0.77 CYP17A1 (0.57) PPARGPPARACYP17A1PTGDR2ADAMTS4
SCHEMBL10890972 0.77 ITGB3 (0.61) PPARGPPARACYP17A1ITGB3ITGA2B
SCHEMBL2895770 0.77 AKT1 (0.49) PPARGPPARAATMCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023002452-A1 PROCESS FOR PREPARATION OF TARGETING LIGANDS Janssen Pharmaceuticals, Inc. (US) 2023-01-26 WO disclosed