SCHEMBL25022992

SCHEMBL25022992

C=C(CN)CC(C)CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.39
CACNB3 P54284 1/20 0.39
CACNA1C Q13936 1/20 0.39
PGR P06401 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
CACNA2D2 Q9NY47 1/20 0.39
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
ANPEP P15144 1/20 0.31
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PMP22 Q01453 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL18742993 0.75 TSHR (0.35) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL24023369 0.74
SCHEMBL24044348 0.72
SCHEMBL13039751 0.71
SCHEMBL25100092 0.66
SCHEMBL2938153 0.66 ALDH1A1 (0.36) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL10889845 0.66 ALDH1A1 (0.36) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL23494144 0.65 TET2 (0.46) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL8623618 0.65 SLC7A5 (0.42) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1494096 0.64

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-3565410-B1 PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC (US) 2023-02-15 EP disclosed