SCHEMBL23712686

SCHEMBL23712686

C=C(C(CC)CCCC)N(C)C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.52
CA1 P00915 4/20 0.52
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDF Q9HBH1 3/20 0.34
USP2 O75604 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL26999696 0.94 CA2 (0.45) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL12856199 0.81 CA2 (0.47) CA2CA1MAPK1ALDH1A1MEN1
SCHEMBL8338391 0.77 CA2 (0.61) CA2CA1MAPK1ALDH1A1MEN1
SCHEMBL24308130 0.77
SCHEMBL14340782 0.75 CA2 (0.38) CA2SLC1A2SLC1A1
SCHEMBL2889274 0.75 CA2 (0.54) CA2CA1MAPK1ALDH1A1MEN1
SCHEMBL14462259 0.75 CA2 (0.60) CA2CA1MAPK1ALDH1A1MEN1
SCHEMBL1882756 0.74 CA2 (0.59) CA2CA1MAPK1ALDH1A1MEN1
2-Ethylhexanoic Acid SCHEMBL19148623 0.72 CA2 (0.74) CA2CA1MAPK1ALDH1A1MEN1
SCHEMBL28171608 0.71 CA2 (0.50) CA2CA1MAPK1ALDH1A1MEN1

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
WO-2021153794-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QOI FUNGICIDE 住友化学株式会社 2021-08-05 WO disclosed