SCHEMBL24845372

SCHEMBL24845372

C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
SYK P43405 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.55
KLK7 P49862 2/20 0.54
KLK5 Q9Y337 2/20 0.54
FOLH1 Q04609 2/20 0.52
MEN1 O00255 1/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50

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
SCHEMBL24845246 0.95 MAPT (0.70) MAPTSYKL3MBTL1KLK7KLK5
SCHEMBL28312630 0.94 MAPT (0.57) MAPTSYKL3MBTL1KLK7KLK5
SCHEMBL28312629 0.94 MAPT (0.57) MAPTSYKL3MBTL1KLK7KLK5
SCHEMBL13480482 0.92 MAPT (0.65) MAPTSYKL3MBTL1KLK7KLK5
SCHEMBL5440929 0.92 SYK (0.64) MAPTSYKL3MBTL1KLK7KLK5
SCHEMBL30544856 0.88 KLK7 (0.63) MAPTSYKKLK7KLK5FOLH1
SCHEMBL2467817 0.88 FOLH1 (0.65) MAPTSYKKLK7KLK5FOLH1
SCHEMBL27497192 0.88 KLK7 (0.63) MAPTSYKKLK7KLK5FOLH1
SCHEMBL699636 0.88 FOLH1 (0.65) MAPTSYKKLK7KLK5FOLH1
SCHEMBL1491720 0.88 FOLH1 (0.65) MAPTSYKKLK7KLK5FOLH1

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-2023275199-A1 MACROCYCLIC TAK1 INHIBITORS AQILION AB (SE) 2023-01-05 WO disclosed