SCHEMBL5249185

SCHEMBL5249185

C=CC(=O)NC(C)C(=O)Cl

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACACB O00763 2/20 0.33
TGM2 P21980 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 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
SCHEMBL1081350 0.79 TSHR (0.62) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL15226591 0.79 TSHR (0.62) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL4116841 0.79 TSHR (0.62) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL8216369 0.79 TSHR (0.62) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL1647678 0.79 TSHR (0.62) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL28632703 0.77 TSHR (0.60) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL8373317 0.77 TSHR (0.60) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL31242446 0.77 TSHR (0.60) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL8373316 0.77 TSHR (0.60) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL28045930 0.76

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1840176-B1 Ink composition, inkjet recording method, printed material, and process for producing lithographic printing plate FUJIFILM CORP (JP) 2014-12-31 EP disclosed
US-20070232722-A1 Ink composition, inkjet recording method, printed material, and process for producing lithographic printing plate FUJIFILM CORPORATION (JP) 2007-10-04 US disclosed
EP-1840176-A1 Ink composition, inkjet recording method, printed material, and process for producing lithographic printing plate FUJIFILM Corporation (JP) 2007-10-03 EP disclosed