SCHEMBL11234876

SCHEMBL11234876

C=CC(=O)NCOC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.52
ALDH1A1 P00352 5/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
TGM2 P21980 6/20 0.38
LMNA P02545 1/20 0.33
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX15 P16050 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL16805860 0.84 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL17522059 0.82 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL29060324 0.80 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28330305 0.80 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL7776385 0.80 ALDH1A1 (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL23281614 0.78 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL844941 0.78 TSHR (0.59) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL15889487 0.78 ALDH1A1 (0.43) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL7768846 0.77 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL10626929 0.76 TSHR (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4366099-A HEATING WITH HOMOPOLYMERIZABLE, HYDROPHILIC MONOMER; FREE RADICAL CATALYST SOCIETE ANONYME DITE: L'OREAL (FR) 1982-12-28 US claimed