SCHEMBL29115441

SCHEMBL29115441

COC(=O)CC(N)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
SLC1A1 P43005 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SLC7A5 Q01650 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TET2 Q6N021 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MMP1 P03956 1/20 0.32
GFPT1 Q06210 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL16838812 1.00 TSHR (0.42) TSHRSLC1A1HSD17B10MGAMGAA
SCHEMBL16838810 1.00 TSHR (0.42) TSHRSLC1A1HSD17B10MGAMGAA
SCHEMBL536243 0.81 SLC1A1 (0.58) SLC1A1SLC7A5GFPT1
SCHEMBL151676 0.81 SLC1A1 (0.58) SLC1A1SLC7A5GFPT1
SCHEMBL12286780 0.81 TSHR (0.42) TSHRSLC1A1HSD17B10MGAMGAA
SCHEMBL2018995 0.81 SLC1A1 (0.58) SLC1A1SLC7A5GFPT1
SCHEMBL5674932 0.81 MGAM (0.44) TSHRSLC1A1HSD17B10MGAMGAA
SCHEMBL196760 0.81 TSHR (0.42) TSHRSLC1A1HSD17B10MGAMGAA
SCHEMBL10005848 0.81 MGAM (0.44) TSHRSLC1A1HSD17B10MGAMGAA
SCHEMBL196759 0.81 TSHR (0.42) TSHRSLC1A1HSD17B10MGAMGAA

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-110869352-B Chemical compound 诺瑟拉有限公司 2023-11-28 CN disclosed