SCHEMBL8648237

SCHEMBL8648237

CC(C)CN(C(=O)N(N)C[C@H](O)CCc1ccccc1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.43
MEN1 O00255 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.38
DPP4 P27487 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIK1 P39086 1/20 0.36
ABCB1 P08183 2/20 0.35
LAP3 P28838 2/20 0.35
ANPEP P15144 1/20 0.35

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
SCHEMBL8502297 0.95 AOC3 (0.43) AOC3MEN1HTTKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL8505045 0.94 AOC3 (0.42) AOC3MEN1HTTKMT2AL3MBTL1
SCHEMBL8504370 0.89 AOC3 (0.42) AOC3MEN1HTTKMT2AL3MBTL1
SCHEMBL8502011 0.79 SMN1; SMN2 (0.39) AOC3MEN1HTTKMT2AL3MBTL1
SCHEMBL1529633 0.79 KMT2A (0.54) MEN1HTTKMT2AL3MBTL1TSHR
SCHEMBL8502790 0.77 MEN1 (0.44) AOC3MEN1HTTKMT2AL3MBTL1
SCHEMBL8501207 0.76 AKT1 (0.47) MEN1HTTKMT2AL3MBTL1
SCHEMBL8648238 0.76 AOC3 (0.49) AOC3MEN1KMT2ASMN1; SMN2
SCHEMBL8505244 0.73 ALDH1A1 (0.40) AOC3MEN1HTTKMT2AL3MBTL1
SCHEMBL10076985 0.72 TSHR (0.51) AOC3MEN1HTTKMT2ATSHR

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-5831117-A ACID SALTS G. D. SEARLE & CO. (US) 1998-11-03 US disclosed