SCHEMBL4100153

SCHEMBL4100153

CC1(C)CC(Oc2ccccc2)CC(C)(C)N1OP(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
KMT2A Q03164 3/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HRH1 P35367 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 2/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
SLC6A4 P31645 2/20 0.33
ESR1 P03372 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RIPK1 Q13546 1/20 0.31
CYP3A4 P08684 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MAPT P10636 1/20 0.30
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL10066154 0.84 TSHR (0.42) TSHRKMT2AL3MBTL1ALDH1A1TDP1
SCHEMBL1138697 0.79 TSHR (0.65) TSHRKMT2AALDH1A1TDP1MEN1
SCHEMBL7935169 0.79 SLC6A2 (0.45) TSHRKMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL12532643 0.78 TSHR (0.38) TSHRKMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL6754518 0.76 SLC6A2 (0.45) TSHRKMT2ASLC6A2SLC6A3HRH1
SCHEMBL4106868 0.74 TSHR (0.67) TSHRKMT2ASLC6A2SLC6A3L3MBTL1
SCHEMBL12516240 0.74 TSHR (0.40) TSHRKMT2AL3MBTL1ALDH1A1TDP1
SCHEMBL17287083 0.74 SLC6A2 (0.50) TSHRKMT2ASLC6A2SLC6A3HRH1
SCHEMBL562024 0.72 SLC6A2 (0.45) TSHRKMT2ASLC6A2SLC6A3HRH1
SCHEMBL4106959 0.72 KMT2A (0.71) TSHRKMT2ASLC6A2SLC6A3L3MBTL1

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-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