SCHEMBL28952925

SCHEMBL28952925

CCOC(=O)CC1(C[N+](=O)[O-])CC(C)OC(C)C1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.31
ALDH1A1 P00352 3/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL5690613 0.87 MGAM (0.34) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL5080768 0.87 MGAM (0.34) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL5077870 0.87 MGAM (0.34) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL14559623 0.82 KMT2A (0.33) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL8345214 0.82 KMT2A (0.33) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL8348269 0.80 KMT2A (0.35) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL14559592 0.80 ALDH1A1 (0.33) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL8347235 0.80 KMT2A (0.35) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL14599665 0.80 ALDH1A1 (0.33) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL14559595 0.80 ALDH1A1 (0.33) KMT2AL3MBTL1GAAMGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117120441-A Influenza virus inhibitor and application thereof 扬子江药业集团有限公司 2023-11-24 CN disclosed
CN-114907365-A Influenza virus inhibitor and application thereof 扬子江药业集团有限公司 2022-08-16 CN disclosed