SCHEMBL28601656

SCHEMBL28601656

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
NFKB1 P19838 5/20 0.43
NFKB2 Q00653 5/20 0.43
RELA Q04206 5/20 0.43
BTK Q06187 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
CTSK P43235 2/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
EPHX2 P34913 1/20 0.35
POLB P06746 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
SCHEMBL28601660 1.00 GAA (0.48) GAANFKB1NFKB2RELABTK
SCHEMBL9906480 0.81 GAA (0.50) GAANFKB1NFKB2RELABTK
SCHEMBL4703211 0.79 GAA (0.48) GAANFKB1NFKB2RELABTK
SCHEMBL4699843 0.79 GAA (0.48) GAANFKB1NFKB2RELABTK
SCHEMBL26317923 0.78 KMT2A (0.45) GAAKMT2AL3MBTL1
SCHEMBL8406024 0.76 GAA (0.59) GAAKMT2AL3MBTL1POLB
SCHEMBL9906478 0.75 GAA (0.45) GAANFKB1NFKB2RELAF2
SCHEMBL28523674 0.74 GAA (0.44) GAANFKB1NFKB2RELAF2
SCHEMBL4760840 0.73 GAA (0.45) GAANFKB1NFKB2RELA
SCHEMBL29048164 0.73 SMN1; SMN2 (0.57) GAAKMT2AL3MBTL1POLB

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
CN-112512589-A Dimeric immunomodulatory compounds against CEREBLON-based mechanisms H·李·莫菲特癌症中心研究有限公司 2021-03-16 CN disclosed