SCHEMBL27743233

SCHEMBL27743233

CCCCCCCCCCC(CC)C(=O)ON(CC)CC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 7/20 0.53
▸ CA1 P00915 4/20 0.53
▸ MAPK1 P28482 1/20 0.44
▸ ZDHHC7 Q9NXF8 1/20 0.42
▸ GRIK1 P39086 2/20 0.40
▸ GRIK2 Q13002 2/20 0.40
▸ GPR84 Q9NQS5 3/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ ZDHHC20 Q5W0Z9 1/20 0.38
▸ ZDHHC2 Q9UIJ5 1/20 0.38
▸ SLC1A2 P43004 1/20 0.38
▸ SLC1A1 P43005 1/20 0.38
▸ FAAH O00519 1/20 0.37

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
SCHEMBL27484669 1.00 CA2 (0.53) CA2CA1MAPK1ZDHHC7GRIK1
SCHEMBL8826750 0.93 CA2 (0.61) CA2CA1MAPK1MAPTSLC1A2
SCHEMBL29029231 0.88 CA2 (0.51) CA2CA1MAPK1ZDHHC7GRIK1
SCHEMBL27901976 0.86 CA2 (0.56) CA2CA1MAPK1ZDHHC7GRIK1
SCHEMBL28063041 0.81 CA1 (0.48) CA1ZDHHC7GPR84FFAR1MAPT
SCHEMBL5583679 0.81 CA2 (0.59) CA2CA1MAPK1MAPTSLC1A2
SCHEMBL29172528 0.80 CA2 (0.62) CA2CA1MAPK1ZDHHC7GRIK1
SCHEMBL8854677 0.80 CA2 (0.62) CA2CA1MAPK1ZDHHC7GRIK1
SCHEMBL25279786 0.78 CA2 (0.60) CA2CA1MAPK1ZDHHC7GRIK1
SCHEMBL7784484 0.78 CA2 (0.85) CA2CA1MAPK1ZDHHC7GRIK1

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
CN-101442908-A Formulated tick and insect repellent compositions DU PONT (US) 2009-05-27 — — CN disclosed
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