SCHEMBL4759787

SCHEMBL4759787

C=CC(=O)NC(CN(C)C)NC(=O)C=C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C19 P33261 2/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
ACACB O00763 2/20 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
SCHEMBL6245506 0.82 TSHR (0.48) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL9746908 0.82 TSHR (0.54) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL13370836 0.79 TSHR (0.45) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL5843329 0.79 TSHR (0.50) TSHRALDH1A1MAPK1TDP1CYP2C19
Hydrochloric Acid SCHEMBL13370823 0.77 TSHR (0.44) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL757462 0.76 TSHR (0.42) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL108348 0.76 TSHR (0.56) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL15232886 0.73 TSHR (0.52) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL1869231 0.72 TSHR (0.52) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL24492522 0.72 TSHR (0.43) TSHRACACB

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-1165878-B1 SUBSTRATE COATINGS, METHODS FOR TREATING SUBSTRATES FOR INK JET PRINTING, AND ARTICLES PRODUCED THEREFROM KIMBERLY CLARK CO (US) 2008-05-28 EP claimed