SCHEMBL12596385

SCHEMBL12596385

CC(C)(N=O)C(O)CC(c1ccccc1)C(C)(C)N=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
SLC6A2 P23975 2/20 0.39
RIPK1 Q13546 1/20 0.39
LMNA P02545 3/20 0.36
AOC3 Q16853 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPA1 O75762 1/20 0.34
CACNA1F O60840 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA2B P18089 1/20 0.34
CHRM3 P20309 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
OPRK1 P41145 1/20 0.34
CACNA1D Q01668 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1S Q13698 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
SCHEMBL1982333 0.70 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2RIPK1LMNA
Hydroxyamine SCHEMBL1980278 0.69 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2RIPK1LMNA
Ammonia Solution, Strong SCHEMBL9984118 0.69 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2RIPK1LMNA
SCHEMBL1979844 0.68 ALDH1A1 (0.43) SLC6A4SLC6A3SLC6A2RIPK1LMNA
SCHEMBL12666860 0.67 SRC (0.34) SLC6A4SLC6A3RIPK1AOC3ATM
SCHEMBL12630687 0.67 ATM (0.45) LMNAATML3MBTL1MAPK1
SCHEMBL10221952 0.66 TRPA1 (0.45) SLC6A4SLC6A3SLC6A2RIPK1LMNA
SCHEMBL9251996 0.66 TRPA1 (0.45) SLC6A4SLC6A3SLC6A2RIPK1LMNA
SCHEMBL10221958 0.66 TRPA1 (0.45) SLC6A4SLC6A3SLC6A2RIPK1LMNA
Nitric Acid SCHEMBL1993584 0.66 ALDH1A1 (0.41) SLC6A4SLC6A3SLC6A2RIPK1LMNA

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-20110147649-A1 Novel diamino-alcohol compounds, their manufacture and use in high solids mineral slurries ADVANCION CORPORATION 2011-06-23 US disclosed