SCHEMBL28450600

SCHEMBL28450600

CCOC(=O)N(S)CC.[Zn]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 6/20 0.42
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.39
SOAT1 P35610 1/20 0.39
KMT2A Q03164 3/20 0.37
TRPA1 O75762 1/20 0.36
MEN1 O00255 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL11717458 0.98
SCHEMBL5023957 0.80
SCHEMBL4553199 0.77
SCHEMBL11692562 0.77 ALDH1A1 (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11001004 0.75
SCHEMBL11731174 0.75
SCHEMBL10881445 0.75
SCHEMBL368267 0.74 DNM1 (0.37) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27547321 0.73
SCHEMBL758863 0.72 KMT2A (0.48) MGAMGAASIMGAM2ALDH1A1

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-111234823-A Synthesis method of quantum dots 宁波东旭成新材料科技有限公司 2020-06-05 CN disclosed