SCHEMBL5354462

SCHEMBL5354462

CCCCCCCCCCCC(=O)NC(C)(C)CCN

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.70
HSP90AA1 P07900 1/20 0.50
DNM1 Q05193 1/20 0.49
FAAH O00519 6/20 0.48
HRH3 Q9Y5N1 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
SLC6A5 Q9Y345 2/20 0.45
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GRK2 P25098 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL8746080 1.00 ALDH1A1 (0.70) ALDH1A1HSP90AA1DNM1FAAHHRH3
SCHEMBL14938581 1.00 ALDH1A1 (0.70) ALDH1A1HSP90AA1DNM1FAAHHRH3
SCHEMBL7885120 1.00 ALDH1A1 (0.70) ALDH1A1HSP90AA1DNM1FAAHHRH3
SCHEMBL28470106 0.89 ALDH1A1 (0.75) ALDH1A1HSP90AA1FAAHHRH3MEN1
SCHEMBL27886560 0.89 ALDH1A1 (0.75) ALDH1A1HSP90AA1FAAHHRH3MEN1
SCHEMBL19783828 0.89 ALDH1A1 (0.75) ALDH1A1HSP90AA1FAAHHRH3MEN1
SCHEMBL7884888 0.87 ALDH1A1 (0.61) ALDH1A1HSP90AA1DNM1FAAHHRH3
SCHEMBL23768142 0.83 ALDH1A1 (0.71) ALDH1A1HSP90AA1FAAHHRH3MEN1
SCHEMBL5592299 0.83 ALDH1A1 (0.66) ALDH1A1HSP90AA1FAAHHRH3MEN1
SCHEMBL31216171 0.83 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104629702-B Foaming agent with corrosion inhibition function for acid gas field and preparation and application thereof 中国石油天然气股份有限公司 2017-11-10 CN claimed
CN-104629702-B Foaming agent with corrosion inhibition function for acid gas field and preparation and application thereof 中国石油天然气股份有限公司 2017-11-10 CN disclosed
US-7192990-B2 Tertiary amino alkyl amide polyurethane catalysts derived from long chain alkyl and fatty carboxylic acids AIR PRODUCTS AND CHEMICALS, INC. (US) 2007-03-20 US disclosed
US-20040132851-A1 Tertiary amino alkyl amide polyurethane catalysts derived from long chain alkyl and fatty carboxylic acids AIR PRODUCTS AND CHEMICALS, INC. 2004-07-08 US disclosed