SCHEMBL25428186

SCHEMBL25428186

CC(CNC(=O)OC(C)(C)C)n1nc(C(=O)O)cc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.38
SYK P43405 1/20 0.37
SERPINE1 P05121 1/20 0.37
AAK1 Q2M2I8 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CPB2 Q96IY4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BACE1 P56817 2/20 0.34
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 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
SCHEMBL25428181 1.00 PCSK9 (0.38) PCSK9SYKSERPINE1AAK1MEN1
SCHEMBL26025544 0.92 SERPINE1 (0.37) PCSK9SYKSERPINE1AAK1MEN1
SCHEMBL25436831 0.87 AAK1 (0.39) PCSK9SYKSERPINE1AAK1MEN1
SCHEMBL30519641 0.87 AAK1 (0.39) PCSK9SYKSERPINE1AAK1MEN1
SCHEMBL26025543 0.84 SERPINE1 (0.38) PCSK9SYKSERPINE1AAK1CPB2
SCHEMBL17334271 0.82 SYK (0.41) PCSK9SYKCPB2GFERHSD17B10
SCHEMBL17334270 0.82 SYK (0.41) PCSK9SYKCPB2GFERHSD17B10
SCHEMBL30685725 0.81 ABCB1 (0.41) PCSK9SYKSERPINE1AAK1GAA
SCHEMBL25272135 0.80 HDAC6 (0.46) MKNK2CTSSCTSK
SCHEMBL25272136 0.80 HDAC6 (0.46) MKNK2CTSSCTSK

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-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed