SCHEMBL9544388

SCHEMBL9544388

[CH2]CCC(NC=O)OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.36
ADH1C P00326 2/20 0.36
ADH1A P07327 2/20 0.36
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33

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
SCHEMBL1752018 0.77 ADH1B (0.40) ADH1BADH1CADH1AADH4ADH7
SCHEMBL6292489 0.74 ADH1B (0.30) ADH1BADH1CADH1A
SCHEMBL7529599 0.73 ADH1B (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8449534 0.73 ADH1B (0.35) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7523004 0.66
SCHEMBL11873574 0.66
SCHEMBL7767539 0.64 ADH1B (0.31) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11280040 0.64 ADH1B (0.37) ADH1BADH1CADH1A
SCHEMBL5383423 0.64
SCHEMBL5113370 0.63

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
WO-1993018002-A1 QUATERNARY SALTS OF 4-SUBSTITUTED PIPERIDINES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-09-16 WO disclosed
EP-0559538-A1 Quaternary salts of 4-substituted piperidines, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1993-09-08 EP disclosed