SCHEMBL28616756

SCHEMBL28616756

C=CC(=O)NCC(=O)NCC(N)=O.[H+]

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
TGM2 P21980 2/20 0.33
PSMB5 P28074 1/20 0.33
FGFR4 P22455 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
SCHEMBL28551887 0.92
SCHEMBL120414 0.89
Hydrochloric Acid SCHEMBL28703256 0.87 ALDH1A1 (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL15044554 0.79 ALDH1A1 (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL26075410 0.79 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL23870420 0.79 ALDH1A1 (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL11141754 0.79 ALDH1A1 (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL12849273 0.78 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL326232 0.76 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL8376831 0.75 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20

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-112625271-B Polyacryloyl glycyl glycinamide hydrogel and preparation method thereof 天津大学 2021-11-02 CN claimed
CN-112625271-A Polyacryloyl glycyl glycinamide hydrogel and preparation method thereof 天津大学 2021-04-09 CN claimed