SCHEMBL29070867

SCHEMBL29070867

CC(C)(N)C(=O)O.CCC(CC)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.35
LMNA P02545 2/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
GAA P10253 1/20 0.35
DHODH Q02127 1/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GHSR Q92847 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL780731 0.86 GAA (0.42) STAT3ALDH1A1CYP3A4CYP2C19GAA
SCHEMBL10486332 0.83 GAA (0.42) STAT3ALDH1A1CYP3A4CYP2C19GAA
SCHEMBL6068413 0.80 APP (0.43) STAT3CTDSP1SIRT5ALDH1A1KMT2A
SCHEMBL6068409 0.80 APP (0.43) STAT3CTDSP1SIRT5ALDH1A1KMT2A
SCHEMBL29132700 0.77 CA2 (0.45) STAT3ALDH1A1CYP3A4CYP2C19GAA
SCHEMBL18857832 0.76 CA2 (0.44) ALDH1A1KMT2AMEN1CYP3A4LMNA
SCHEMBL22638008 0.75 ALDH1A1 (0.33) STAT3ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL29070866 0.75 CYP1A2 (0.42) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL13365292 0.75 CA2 (0.37) STAT3ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL13389646 0.75 CA2 (0.37) STAT3ALDH1A1KMT2AMEN1CYP3A4

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-116332996-B L-ribofuranose type anti-coronavirus compound, and preparation method and application thereof 南京颐媛生物医学研究院有限公司 2025-04-01 CN disclosed
CN-116332996-A Anti-coronavirus compound, preparation method and application thereof 南京颐媛生物医学研究院有限公司 2023-06-27 CN disclosed