SCHEMBL10072218

SCHEMBL10072218

C=CC(=O)NONC(=O)C=C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FGFR4 P22455 1/20 0.42
LMNA P02545 2/20 0.37
TGM2 P21980 8/20 0.36
F13A1 P00488 1/20 0.33
TGM1 P22735 1/20 0.33
TGM3 Q08188 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
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
Sulfuric Acid SCHEMBL7212410 0.89 TSHR (0.39) TSHRALDH1A1MAPK1TDP1FGFR4
SCHEMBL284915 0.77
SCHEMBL4292636 0.77
SCHEMBL2365102 0.75
SCHEMBL176518 0.75
SCHEMBL175928 0.75
SCHEMBL27746463 0.75 TSHR (0.40) TSHRALDH1A1MAPK1TDP1FGFR4
SCHEMBL21383588 0.73
SCHEMBL16165927 0.73
SCHEMBL9807133 0.73

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
CN-102883870-B Prepare the method for nanostructured 3M INNOVATIVE PROPERTIES CO. (US) 2015-09-16 CN disclosed
EP-1877468-B1 TEMPLATED SEMICONDUCTOR PARTICLES AND METHODS OF MAKING 3M INNOVATIVE PROPERTIES CO (US) 2012-01-18 EP disclosed
WO-2008036700-A2 TEMPLATED METAL OXIDE PARTICLES AND METHODS OF MAKING 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-03-27 WO disclosed