SCHEMBL28929632

SCHEMBL28929632

NC(CC(=O)O)(C(=O)O)S(=O)(=O)O.[NaH]

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
ACLY P53396 3/20 0.31
CPT2 P23786 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
SCHEMBL899527 0.98 ALDH1A1 (0.39) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL5489842 0.74 ALDH1A1 (0.39) ALDH1A1HIF1AL3MBTL1
SCHEMBL27561926 0.71 ALDH1A1 (0.36) ALDH1A1L3MBTL1
SCHEMBL7272260 0.70 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL6561842 0.69 ALDH1A1 (0.42) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL1129741 0.69 ALDH1A1 (0.42) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL17179910 0.68 CYP2C19 (0.46) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
Ammonia Solution, Strong SCHEMBL11776041 0.67 ALDH1A1 (0.40) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL6570219 0.67 ALDH1A1 (0.46) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
Citric Acid SCHEMBL11060467 0.67 ALDH1A1 (0.75) ALDH1A1CYP2D6TSHRCYP2C19HIF1A

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-113788878-B Self-assembled short peptides, their use in broad-spectrum vaccines and biomedical science 成都赛恩贝外科学研究院 2023-08-01 CN disclosed
CN-113788878-A Self-assembled short peptide, and application thereof in broad-spectrum vaccine and biomedicine 成都赛恩贝外科学研究院 2021-12-14 CN disclosed