SCHEMBL30721111

SCHEMBL30721111

C=C(CC(CO)(CO)CO)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
LMNA P02545 1/20 0.30
OR51E2 Q9H255 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
SCHEMBL10503338 0.77 TET2 (0.48) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL22490940 0.76 TDP1 (0.36) TDP1
SCHEMBL30906961 0.76 TDP1 (0.31) TDP1
SCHEMBL5668482 0.74 TDP1 (0.36) TDP1ALDH1A1LMNAOR51E2
SCHEMBL22607749 0.73 TDP1 (0.33) TDP1
Tromethamine SCHEMBL6263020 0.73 MEN1 (0.42) LMNA
SCHEMBL15742308 0.73 ALDH1A1 (0.35) TDP1ALDH1A1TP53CYP3A4MAPK1
SCHEMBL1695816 0.72 TET2 (0.35) TDP1ALDH1A1LMNAOR51E2
SCHEMBL4342621 0.72 TDP1 (0.63) TDP1ALDH1A1TP53CYP3A4MAPK1
SCHEMBL3232065 0.72 TDP1 (0.41) TDP1ALDH1A1LMNAOR51E2

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-2024015644-A1 BIOPHARMACEUTICAL FORMULATIONS INCLUDING POLYMER EXCIPIENTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2024-01-18 WO disclosed