SCHEMBL10066154

SCHEMBL10066154

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 4/20 0.34
CYP3A4 P08684 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 4/20 0.32
HTT P42858 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA5A P35218 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
SCHEMBL4100153 0.84 TSHR (0.39) TSHRKMT2AALDH1A1L3MBTL1MEN1
SCHEMBL1138697 0.83 TSHR (0.65) TSHRKMT2AALDH1A1MEN1MAPT
SCHEMBL12532643 0.79 TSHR (0.38) TSHRKMT2AALDH1A1L3MBTL1MEN1
SCHEMBL12516240 0.75 TSHR (0.40) TSHRKMT2AALDH1A1L3MBTL1MEN1
SCHEMBL4308950 0.72 KMT2A (0.75) TSHRKMT2AALDH1A1L3MBTL1MEN1
SCHEMBL12517430 0.72 KMT2A (0.39) TSHRKMT2AALDH1A1L3MBTL1MEN1
SCHEMBL5073338 0.66 TDP1 (0.37) TSHRKMT2AALDH1A1L3MBTL1MEN1
SCHEMBL4325339 0.63 TSHR (0.55) TSHRKMT2AALDH1A1MEN1ESR1
SCHEMBL12516508 0.63 TSHR (0.41) TSHRKMT2AALDH1A1MEN1CYP3A4
SCHEMBL14753378 0.63 ALDH1A1 (0.54) TSHRKMT2AALDH1A1L3MBTL1MEN1

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