SCHEMBL2177152

SCHEMBL2177152

CCCCCC(CCC)CN(C)C=O.CCCCCCCC(C)NC(=O)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
FAAH O00519 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
MLYCD O95822 1/20 0.33
CETP P11597 1/20 0.33
KCNK3 O14649 1/20 0.32
THRB P10828 1/20 0.32
CNR2 P34972 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL2180959 0.81 LMNA (0.38) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28345296 0.79 FAAH (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL13267751 0.79 FAAH (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2182220 0.79 FAAH (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL4501645 0.78 FAAH (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL15444589 0.78 FAAH (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5780119 0.73 TSHR (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL15961732 0.72 TAS1R3 (0.49) ADH1BADH1CADH1AADH4ADH7
SCHEMBL14370371 0.69 FAAH (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8848209 0.69 POLB (0.55) FAAHMEN1KMT2AMAPK1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519498-B1 AMIDES, USE OF AMIDES AS SOLVENTS FOR ORGANIC COMPOUNDS, COMPOSITIONS AND EMULSIONS CONTAINING AMIDES, AND METHOD FOR TREATING A PLANT AKZO NOBEL CHEMICALS INT BV (NL) 2014-08-13 EP disclosed
EP-2519498-A1 AMIDES, USE OF AMIDES AS SOLVENTS FOR ORGANIC COMPOUNDS, COMPOSITIONS AND EMULSIONS CONTAINING AMIDES, AND METHOD FOR TREATING A PLANT Akzo Nobel Chemicals International B.V. (NL) 2012-11-07 EP disclosed
WO-2011080208-A1 AMIDES, USE OF AMIDES AS SOLVENTS FOR ORGANIC COMPOUNDS, COMPOSITIONS AND EMULSIONS CONTAINING AMIDES, AND METHOD FOR TREATING A PLANT AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2011-07-07 WO disclosed