SCHEMBL27363843

SCHEMBL27363843

NCN(C=O)C1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 13/20 0.63
ADH1C P00326 10/20 0.63
ADH4 P08319 4/20 0.44
ADH1B P00325 3/20 0.42
ADH7 P40394 1/20 0.35
EPHX1 P07099 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
SCHEMBL7251997 0.83 ADH1A (0.66) ADH1AADH1CADH4ADH1BADH7
SCHEMBL10948024 0.77 ADH1A (1.00) ADH1AADH1CADH4ADH1BADH7
SCHEMBL9462480 0.77 ADH1A (1.00) ADH1AADH1CADH4ADH1BADH7
SCHEMBL9660584 0.77 ADH1A (1.00) ADH1AADH1CADH4ADH1BADH7
SCHEMBL966676 0.77 ADH1A (1.00) ADH1AADH1CADH4ADH1BADH7
SCHEMBL12514962 0.77 ADH1A (0.63) ADH1AADH1CADH4ADH1BADH7
SCHEMBL27651685 0.77 ADH1A (0.58) ADH1AADH1CADH4ADH1B
SCHEMBL967215 0.74 ADH1A (0.95) ADH1AADH1CADH4ADH1BADH7
SCHEMBL9661004 0.74 ADH1A (1.00) ADH1AADH1CADH4ADH1BADH7
SCHEMBL6984253 0.74 ADH1A (1.00) ADH1AADH1CADH4ADH1BADH7

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-1066712-C Prolinamide derivatives MITSUBISHI CHEM CORP (JP) 2001-06-06 CN disclosed