SCHEMBL29138972

SCHEMBL29138972

C=C(C)C(=O)OCC.CCCNCC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
TSHR P16473 4/20 0.46
ALDH1A1 P00352 8/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
MAPT P10636 2/20 0.38
GLO1 Q04760 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PAOX Q6QHF9 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL28459230 0.92 THRB (0.50) THRBTSHRALDH1A1MGAMGAA
Hydrochloric Acid SCHEMBL28816259 0.91 THRB (0.48) THRBTSHRALDH1A1MGAMGAA
Diethylamine SCHEMBL2967587 0.88 THRB (0.53) THRBTSHRALDH1A1MGAMGAA
SCHEMBL31151030 0.83 THRB (0.48) THRBTSHRALDH1A1MGAMGAA
SCHEMBL19409375 0.82 THRB (0.64) THRBTSHRALDH1A1MGAMGAA
SCHEMBL15030 0.82
SCHEMBL27750323 0.81 TSHR (0.55) THRBTSHRALDH1A1MGAMGAA
SCHEMBL110870 0.81 THRB (0.55) THRBTSHRALDH1A1MGAMGAA
SCHEMBL11330084 0.81 TSHR (0.48) THRBTSHRALDH1A1MGAMGAA
Methylethylamine SCHEMBL1285593 0.80 THRB (0.53) THRBTSHRALDH1A1MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117547519-A Lymph node targeting nanoparticle based on STING agonist and preparation method and application thereof 山东大学 2024-02-13 CN claimed
CN-117547519-A Lymph node targeting nanoparticle based on STING agonist and preparation method and application thereof 山东大学 2024-02-13 CN disclosed
CN-117402304-A Acid-activated bioorthogonal click amphiphilic polymer and nanoparticle, preparation method and application thereof 华东师范大学 2024-01-16 CN disclosed