SCHEMBL4308950

SCHEMBL4308950

CC1(C)CC(OO)CC(C)(C)N1OC(=O)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.75
TSHR P16473 3/20 0.75
ALDH1A1 P00352 1/20 0.56
ESR1 P03372 1/20 0.56
HSD17B10 Q99714 1/20 0.56
GAA P10253 3/20 0.48
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 4/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CHRNA7 P36544 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
F2 P00734 1/20 0.38

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
SCHEMBL1138721 0.88 KMT2A (0.84) KMT2ATSHRALDH1A1ESR1HSD17B10
SCHEMBL9744197 0.87 KMT2A (0.82) KMT2ATSHRALDH1A1ESR1HSD17B10
SCHEMBL13110327 0.86 KMT2A (1.00) KMT2ATSHRALDH1A1ESR1HSD17B10
SCHEMBL4106959 0.86 KMT2A (0.71) KMT2ATSHRALDH1A1ESR1HSD17B10
SCHEMBL6486333 0.85 KMT2A (0.70) KMT2ATSHRALDH1A1ESR1HSD17B10
SCHEMBL9745635 0.85 KMT2A (0.78) KMT2ATSHRALDH1A1ESR1HSD17B10
SCHEMBL9440018 0.83 KMT2A (0.68) KMT2ATSHRALDH1A1ESR1HSD17B10
SCHEMBL12532645 0.81 KMT2A (0.65) KMT2ATSHRALDH1A1ESR1HSD17B10
SCHEMBL1138526 0.81 TSHR (0.82) KMT2ATSHRALDH1A1ESR1HSD17B10
SCHEMBL9440201 0.81 TSHR (0.82) KMT2ATSHRALDH1A1ESR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168725-B2 Degradation of polypropylene with hydroxylamine ester compositions BASF SE (DE) 2012-05-01 US disclosed
US-20110207892-A1 DEGRADATION OF POLYPROPYLENE WITH HYDROXYLAMINE ESTER COMPOSITIONS ROTH MICHAEL 2011-08-25 US disclosed
US-7956109-B2 Degradation of polypropylene with hydroxylamine ester compositions BASF SE (DE) 2011-06-07 US disclosed
US-20080234453-A1 Method of Preparing Ethylene Polymers by Controlled High Pressure Polymerization ROTH MICHAEL 2008-09-25 US disclosed
US-20080045662-A1 Degradation of Polypropylene with Hydroxylamine Ester Compositions CIBA CORPORATION 2008-02-21 US disclosed