SCHEMBL13112970

SCHEMBL13112970

C=CC(=O)NCCOC(=O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
TGM2 P21980 6/20 0.40
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
ITK Q08881 3/20 0.34
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 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
SCHEMBL20380059 0.86 ALDH1A1 (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL20380058 0.85 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL490620 0.84 ZDHHC20 (0.44) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL21099517 0.83 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL23281614 0.82 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL26478806 0.81 ZDHHC20 (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL24614114 0.81 ZDHHC20 (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL3678362 0.81 ZDHHC20 (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL16803244 0.80 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL31142521 0.79 TSHR (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362106-B2 Decarboxylating block copolymers E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-29 US disclosed
US-8362106-B2 Decarboxylating block copolymers E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-29 US disclosed
US-20100273931-A1 DECARBOXYLATING BLOCK COPOLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-28 US disclosed
WO-2009073702-A1 DECARBOXYLATING BLOCK COPOLYMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-06-11 WO disclosed