SCHEMBL13655556

SCHEMBL13655556

CCC(c1ccccc1)N(O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
AOC3 Q16853 4/20 0.40
TDP1 Q9NUW8 1/20 0.39
RIPK1 Q13546 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
TRPA1 O75762 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL1031859 0.79 LMNA (0.52) LMNATRPM8HTR2AHRH1AOC3
SCHEMBL8576434 0.79 LMNA (0.52) LMNATRPM8HTR2AHRH1AOC3
SCHEMBL19370857 0.77 AOC3 (0.43) LMNATRPM8SLC6A2SLC6A4SLC6A3
SCHEMBL14372108 0.75 AOC3 (0.42) LMNASLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL11141579 0.74 LMNA (0.47) LMNATRPM8SLC6A2SLC6A4HTR2A
SCHEMBL1952126 0.73 TRPM8 (0.49) LMNATRPM8AOC3CYP1A2MEN1
SCHEMBL12152386 0.73 LMNA (0.37) LMNATRPM8SLC6A3HTR2AHRH1
SCHEMBL171013 0.73 HTR2A (0.48) LMNATRPM8SLC6A2SLC6A4SLC6A3
SCHEMBL8926699 0.73 HTR2A (0.48) LMNATRPM8SLC6A2SLC6A4SLC6A3
SCHEMBL119104 0.73 HTR2A (0.48) LMNATRPM8SLC6A2SLC6A4SLC6A3

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
EP-1590387-B1 RING-OPENED AZLACTONE INITIATORS FOR NITROXIDE-MEDIATED POLYMERIZATION 3M INNOVATIVE PROPERTIES CO (US) 2009-10-21 EP disclosed