SCHEMBL18559656

SCHEMBL18559656

C=CC(=C)NC(C)CNC(=O)C=C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TGM2 P21980 2/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ACACB O00763 2/20 0.33
ATM Q13315 1/20 0.33
PSMB5 P28074 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 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
SCHEMBL108347 0.86 TSHR (0.56) TSHRALDH1A1MAPK1TDP1TGM2
Acrylamide SCHEMBL7165132 0.80 TSHR (0.48) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL28708233 0.79 TSHR (0.48) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL27401761 0.76
SCHEMBL18755013 0.76 TSHR (0.54) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL372689 0.76
SCHEMBL8977572 0.76 TSHR (0.45) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL7744606 0.74 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL17267140 0.74
SCHEMBL10350868 0.74

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
EP-3040365-B1 ION EXCHANGE FILM, COMPOSITION FOR FORMING ION EXCHANGE FILM, AND PRODUCTION METHOD FOR ION EXCHANGE FILM FUJIFILM CORP (JP) 2017-03-01 EP disclosed