SCHEMBL28357259

SCHEMBL28357259

COC(=O)CC(Cl)NC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
TSHR P16473 4/20 0.39
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CRAT P43155 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
SLC1A1 P43005 1/20 0.31

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
SCHEMBL11311284 0.77 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL1144297 0.76 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL1144274 0.76 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL1144293 0.76 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL10516014 0.75
SCHEMBL8396634 0.74 TSHR (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL5176982 0.74
SCHEMBL4806395 0.73 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL3420387 0.72 MAPT (0.55) MGAMGAASIMGAM2TSHR
SCHEMBL468839 0.72 CA12 (0.42) MGAMGAASIMGAM2TSHR

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-110642736-A Synthesis method of acetamido-3-methyl chloropropionate 湖北宇阳药业有限公司 2020-01-03 CN claimed
CN-110642736-A Synthesis method of acetamido-3-methyl chloropropionate 湖北宇阳药业有限公司 2020-01-03 CN disclosed