SCHEMBL14066744

SCHEMBL14066744

C=C1CC(OC(C)=O)CC(C)(C)N1OC(=O)CCCCCCCCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
NAAA Q02083 2/20 0.39
PRKCA P17252 8/20 0.38
NR5A2 O00482 1/20 0.36
NR5A1 Q13285 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.34
ESR1 P03372 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL14066587 0.91 NAAA (0.45) KMT2AMEN1GAANAAAPRKCA
SCHEMBL13747681 0.84 NAAA (0.42) NAAAPRKCA
SCHEMBL13747657 0.81 TSHR (0.44) KMT2AMEN1GAATSHRALDH1A1
SCHEMBL1138999 0.79 KMT2A (0.58) KMT2AMEN1GAANAAATSHR
SCHEMBL14076212 0.78 NAAA (0.41) KMT2AMEN1GAANAAAPRKCA
SCHEMBL14224315 0.78 TSHR (0.52) KMT2AMEN1GAATSHRALDH1A1
SCHEMBL13266121 0.73 NAAA (0.40) KMT2AMEN1GAANAAAPRKCA
SCHEMBL1138932 0.72 NAAA (0.52) KMT2AMEN1GAANAAAPRKCA
SCHEMBL1138686 0.71 NAAA (0.55) KMT2AMEN1GAANAAAPRKCA
SCHEMBL12829912 0.70 KMT2A (0.43) KMT2AMEN1GAATSHRALDH1A1

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
US-20080234453-A1 Method of Preparing Ethylene Polymers by Controlled High Pressure Polymerization ROTH MICHAEL 2008-09-25 US disclosed