SCHEMBL8517040

SCHEMBL8517040

C=C(C)C(=O)NCO.C=CC(=O)NCC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
TGFBR1 P36897 1/20 0.37
THRB P10828 1/20 0.32
TGM2 P21980 1/20 0.31
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
SCHEMBL9413685 0.91 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL4871912 0.91 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL7611207 0.85 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL8746750 0.84 TSHR (0.43) TSHRALDH1A1MAPK1TDP1ZDHHC20
Methacrylic Acid SCHEMBL31155475 0.81 ALDH1A1 (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
Acrylic Acid SCHEMBL27397347 0.81 ALOX15 (0.42) TSHRALDH1A1MAPK1TDP1TGFBR1
SCHEMBL5530608 0.81 ZDHHC20 (0.51) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL15271275 0.81 TGFBR1 (0.39) TSHRALDH1A1MAPK1TDP1TGFBR1
Acetone SCHEMBL28395964 0.80 ALDH1A1 (0.56) TSHRALDH1A1MAPK1TDP1ZDHHC20
Propane SCHEMBL27440 0.80 TGFBR1 (0.42) ALDH1A1TDP1TGFBR1THRB

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-0492959-B1 Method for developing presensitized plate for use in making lithographic printing plate FUJI PHOTO FILM CO LTD (JP) 1999-02-24 EP disclosed