SCHEMBL29102256

SCHEMBL29102256

CC(C)(C)OC(=O)NC1=CC=COC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
GAA P10253 2/20 0.34
CA1 P00915 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
PSMB8 P28062 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CYP17A1 P05093 2/20 0.33
ATR Q13535 1/20 0.33
CA2 P00918 1/20 0.32
NAMPT P43490 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL14110260 0.77 EPHX2 (0.42) NFKB1NFKB2RELAGAACA1
SCHEMBL28317671 0.72 TP53 (0.33) CA1CA12CA9CA2
SCHEMBL24438499 0.72 GAA (0.46) NFKB1NFKB2RELAGAACA1
SCHEMBL1559072 0.72 CA1 (0.38) NFKB1NFKB2RELAGAACA1
SCHEMBL16166476 0.69 GAA (0.39) NFKB1NFKB2RELAGAACA1
SCHEMBL30889135 0.68 GAA (0.48) NFKB1NFKB2RELAGAACA1
SCHEMBL4151983 0.68 ATR (0.39) NFKB1NFKB2RELAGAACA1
SCHEMBL22447140 0.67 KDM4E (0.47) NFKB1NFKB2RELAALDH1A1KMT2A
SCHEMBL28607649 0.66 CA1 (0.33) NFKB1NFKB2RELAGAACA1
SCHEMBL31252831 0.66 DRD2 (0.35) NFKB1NFKB2RELACYP17A1NAMPT

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-116997547-A Granulin precursor modulators and methods of use thereof 阿库达医疗公司 2023-11-03 CN disclosed