SCHEMBL24873296

SCHEMBL24873296

CC(C)(C)OC(=O)NC1CCCC(NC2CCC(=O)NC2=O)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.51
▸ GAA P10253 1/20 0.44
▸ CRBN Q96SW2 10/20 0.40
▸ DDB1 Q16531 9/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ IKZF3 Q9UKT9 1/20 0.37

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
SCHEMBL12367685 0.82 GAA (0.55) GAACRBNDDB1IKZF3
SCHEMBL2176628 0.82 GAA (0.55) GAACRBNDDB1IKZF3
SCHEMBL7205713 0.78 BTK (0.78) BTKGAAKMT2AL3MBTL1KDM1A
SCHEMBL7212396 0.78 BTK (0.78) BTKGAAKMT2AL3MBTL1KDM1A
SCHEMBL14502820 0.78 BTK (0.78) BTKGAAKMT2AL3MBTL1KDM1A
SCHEMBL7210932 0.78 BTK (0.78) BTKGAAKMT2AL3MBTL1KDM1A
SCHEMBL31068584 0.77 GAA (0.52) BTKGAACRBNDDB1NFKB1
SCHEMBL30703620 0.74 DDB1 (0.61) CRBNDDB1L3MBTL1EPHX2
SCHEMBL31514889 0.73 DDB1 (0.42) BTKGAACRBNDDB1
SCHEMBL20737119 0.72 BTK (0.69) BTKGAAKMT2AL3MBTL1KDM1A

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-2023283372-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS BIOGEN MA INC. (US) 2023-01-12 — — WO disclosed
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