SCHEMBL21976880

SCHEMBL21976880

CCC(=O)OC(CC)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
RNPEP Q9H4A4 1/20 0.37
CTSK P43235 1/20 0.36
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP19A1 P11511 1/20 0.33
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
SLC7A5 Q01650 1/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 1/20 0.32
ESR1 P03372 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
SCHEMBL2172709 0.91 MEN1 (0.44) MEN1CYP2C19RECQLKMT2ARNPEP
SCHEMBL6785594 0.84 MEN1 (0.48) MEN1CYP2C19RECQLKMT2ACTSK
SCHEMBL23810002 0.83 ALDH1A1 (0.43) MEN1KMT2ARNPEPCTSKMAPT
SCHEMBL30680094 0.83 CTSK (0.41) MEN1CYP2C19RECQLKMT2ACTSK
SCHEMBL5391791 0.83 MGAM (0.43) RNPEPCTSKMAPTMAPK1CYP19A1
SCHEMBL606963 0.82 RNPEP (0.39) RNPEPCTSKCYP19A1CACNA2D1CACNB3
SCHEMBL12662795 0.82 ALDH1A1 (0.43) MEN1CYP2C19RECQLKMT2ALMNA
SCHEMBL12136572 0.82 CACNA2D1 (0.46) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL10923718 0.80 MEN1 (0.43) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL14088060 0.80 TSHR (0.44) MEN1KMT2ARNPEPCTSKMAPT

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
EP-3506754-B1 PICOLINAMIDE N-OXIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC (US) 2023-08-09 EP disclosed
EP-3240419-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-06 EP disclosed