SCHEMBL8092201

SCHEMBL8092201

C=CN(C=O)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 12/20 0.50
ADH1C P00326 9/20 0.48
ADH4 P08319 3/20 0.46
ADH1B P00325 3/20 0.43
ALDH1A1 P00352 1/20 0.32
ADH7 P40394 1/20 0.32
FDPS P14324 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
SCHEMBL8087373 1.00 ADH1A (0.50) ADH1AADH1CADH4ADH1BALDH1A1
SCHEMBL8090539 0.98 ADH1A (0.50) ADH1AADH1CADH4ADH1B
SCHEMBL28922126 0.87
SCHEMBL7430076 0.84 ADH1A (0.63) ADH1AADH1CADH4ADH1BADH7
SCHEMBL6804942 0.82
SCHEMBL23838311 0.73 ADH1A (0.32) ADH1AADH1CALDH1A1
SCHEMBL15806424 0.73 ADH1A (0.35) ADH1AADH1CADH1BALDH1A1
SCHEMBL21418063 0.73 ADH1A (0.35) ADH1AADH1CADH1BALDH1A1
SCHEMBL16274495 0.73 ADH1A (0.35) ADH1AADH1CADH1BALDH1A1
SCHEMBL21418059 0.73 ADH1A (0.35) ADH1AADH1CADH1BALDH1A1

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-1050565-A2 Method of hydrophobisation and preparations for carrying out said method BASF AKTIENGESELLSCHAFT (DE) 2000-11-08 EP disclosed