SCHEMBL29138970

SCHEMBL29138970

CCCNC(CC)=C(C)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.39
MAPT P10636 1/20 0.38
GLO1 Q04760 1/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SOAT1 P35610 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 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
SCHEMBL26906441 0.89 ACHE (0.46) EGLN1EPHX1HTTTSHR
SCHEMBL9642404 0.85 EGLN1 (0.41) EGLN1MAPTGLO1ALDH1A1LMNA
SCHEMBL515796 0.79 MAPT (0.41) EGLN1MAPTGLO1ALDH1A1LMNA
SCHEMBL2012446 0.76 MMP1 (0.39) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL9113646 0.75 MMP1 (0.38) MAPTALDH1A1LMNANPSR1MMP1
SCHEMBL27248414 0.74 ALOX15 (0.40) EGLN1MAPTGLO1ALDH1A1LMNA
SCHEMBL24873009 0.74 EGLN1 (0.61) EGLN1MAPTALDH1A1MGAMGAA
SCHEMBL5611950 0.72 ALDH1A1 (0.58) EGLN1MAPTGLO1ALDH1A1LMNA
SCHEMBL5611940 0.72 ALDH1A1 (0.58) EGLN1MAPTGLO1ALDH1A1LMNA
SCHEMBL11141816 0.72 ALDH1A1 (0.58) EGLN1MAPTGLO1ALDH1A1LMNA

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
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