SCHEMBL12470002

SCHEMBL12470002

C=CC(=O)NCCOCCOCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
TGM2 P21980 2/20 0.36
PYGL P06737 1/20 0.36
EPHX2 P34913 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
GAA P10253 1/20 0.32
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 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
SCHEMBL29519063 1.00 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL29518836 1.00 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL29519248 1.00 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL29519218 1.00 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL476500 0.98 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL4361183 0.92 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL12328384 0.92 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL12213321 0.92 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL12328966 0.92 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL10064051 0.90 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11851822-B2 Oil-resistant agent for paper DAIKIN INDUSTRIES, LTD. (JP) 2023-12-26 US disclosed
WO-2012049453-A2 COMPOSITIONS FOR TOPICAL APPLICATIONS VECTUM PHARMA S.L. (ES) 2012-04-19 WO disclosed