SCHEMBL29016756

SCHEMBL29016756

CC(C)CCCONC=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.34
ADH1C P00326 2/20 0.34
ADH1A P07327 2/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31

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
SCHEMBL28473932 0.92 ADH1B (0.37) ADH1BADH1CADH1AALDH1A1LMNA
SCHEMBL27813372 0.86
SCHEMBL28793475 0.83 ALDH1A1 (0.34) ALDH1A1
SCHEMBL6720331 0.72
SCHEMBL2492609 0.72
SCHEMBL21144229 0.71 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL29020561 0.71 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28346019 0.71 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL93213 0.70
SCHEMBL23679030 0.70

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-111566116-B Novel metal complex, process for producing the same, and process for producing gamma-lactam compound using the same 基础科学研究院 2023-06-09 CN disclosed