SCHEMBL28979166

SCHEMBL28979166

C=CC(=O)NOC(C)=O.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TGM2 P21980 3/20 0.33
FGFR4 P22455 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 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
SCHEMBL7950676 0.98
Propylamine SCHEMBL3920200 0.86 ZDHHC20 (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL27889047 0.77 ALDH1A1 (0.46) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL13275793 0.76 MGAM (0.44) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL176518 0.75
SCHEMBL2365102 0.75
SCHEMBL27746463 0.75 TSHR (0.40) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL27932093 0.74 TSHR (0.48) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL27833555 0.74 TSHR (0.38) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL28083015 0.74 MGAM (0.38) TSHRALDH1A1MAPK1TDP1TGM2

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-115872596-A Special flocculating agent for plate-frame dehydrator 上海力洁环保科技有限公司 2023-03-31 CN disclosed