SCHEMBL11325903

SCHEMBL11325903

C=CCCCCCCCOC(=O)NCCC

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.62
EPHX2 P34913 2/20 0.55
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49

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
SCHEMBL22588787 0.98 ACHE (0.59) ACHEEPHX2CHRNB2CHRNB4CHRNA3
SCHEMBL11338749 0.92 ACHE (0.75) ACHEEPHX2
SCHEMBL11325978 0.91 ACHE (0.68) ACHEEPHX2
SCHEMBL13331638 0.88 ACHE (0.58) ACHEEPHX2
SCHEMBL11325901 0.87 ACHE (0.57) ACHEEPHX2
SCHEMBL11339356 0.87 ACHE (0.51) ACHEEPHX2CHRNB2CHRNB4CHRNA3
SCHEMBL10817081 0.86 ACHE (0.81) ACHEEPHX2CHRNB2CHRNB4CHRNA3
SCHEMBL22588838 0.85 ACHE (0.64) ACHEEPHX2
SCHEMBL28289954 0.85 ACHE (0.49) ACHEEPHX2CHRNB2CHRNB4CHRNA3
SCHEMBL9927890 0.84 EPHX2 (0.74) ACHEEPHX2

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
US-4260552-A INSECTICIDES, HERBICIDES UNIROYAL, INC. (US) 1981-04-07 US disclosed
US-4160846-A Method for controlling insects with tetrasubstituted organotin compounds UNIROYAL, INC. (US) 1979-07-10 US disclosed