SCHEMBL9846492

SCHEMBL9846492

CC(C)(C)OC(=O)N[C@H]1COC(=O)C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
BTK Q06187 1/20 0.50
NFKB1 P19838 4/20 0.47
NFKB2 Q00653 4/20 0.47
RELA Q04206 4/20 0.47
EPHX2 P34913 1/20 0.43
CTSK P43235 2/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM1A O60341 2/20 0.41
MAOB P27338 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EPHX1 P07099 1/20 0.38

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
SCHEMBL3307631 1.00 GAA (0.53) GAABTKNFKB1NFKB2RELA
SCHEMBL2936974 1.00 GAA (0.53) GAABTKNFKB1NFKB2RELA
SCHEMBL14249955 0.85 GAA (0.49) GAABTKNFKB1NFKB2RELA
SCHEMBL14249956 0.85 GAA (0.49) GAABTKNFKB1NFKB2RELA
SCHEMBL15502088 0.84 GAA (0.54) GAABTKNFKB1NFKB2RELA
SCHEMBL14318900 0.84 GAA (0.45) GAABTKNFKB1NFKB2RELA
SCHEMBL20464506 0.81 ALDH1A1 (0.39) GAAKMT2A
SCHEMBL8225701 0.80 GAA (0.54) GAABTKNFKB1NFKB2RELA
SCHEMBL18570971 0.80 GAA (0.54) GAABTKNFKB1NFKB2RELA
SCHEMBL4949895 0.79 GAA (0.55) GAABTKNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695237-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2026-02-18 EP disclosed
WO-2024213625-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2024-10-17 WO disclosed
CN-1054980-A Optically active 8-BAY 128039 carboxylic acid derivative, their preparation method and their intermediate KYORIN SEIYAKU KK (JP) 1991-10-02 CN disclosed
EP-0443498-A1 Isoindoline derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1991-08-28 EP disclosed