SCHEMBL11096189

SCHEMBL11096189

CCCCNC(=O)ON=C(C)SCC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.44
EPHX1 P07099 1/20 0.40
FAAH O00519 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
BCHE P06276 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
SCHEMBL11060245 0.78 TDP1 (0.34)
SCHEMBL11060249 0.78 TDP1 (0.34)
SCHEMBL8153165 0.73 ACHE (0.53) ACHEEPHX1BCHE
SCHEMBL11873194 0.69 EPHX1 (0.58) ACHEEPHX1FAAH
SCHEMBL16381789 0.69 EPHX1 (0.58) ACHEEPHX1FAAH
SCHEMBL24977100 0.69 EPHX1 (0.58) ACHEEPHX1FAAH
SCHEMBL19734493 0.69 EPHX1 (0.58) ACHEEPHX1FAAH
SCHEMBL8012268 0.69 ACHE (0.49) ACHEEPHX1
SCHEMBL1577275 0.68 FAAH (0.46) ACHEEPHX1FAAH
SCHEMBL3074530 0.67 ACHE (0.50) ACHEEPHX1BCHE

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-4454134-A INSECTICIDES, MITICIDES UNION CARBIDE CORPORATION (US) 1984-06-12 US disclosed