SCHEMBL7171663

SCHEMBL7171663

CCCCCCC(C)C(=O)NC(CCCC)(NC(=O)CCCCC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41
HDAC8 Q9BY41 5/20 0.40
HDAC3 O15379 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
PLA2G10 O15496 2/20 0.39
NOD1 Q9Y239 1/20 0.39
PLA2G2C Q5R387 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HSP90AA1 P07900 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
ASAH1 Q13510 1/20 0.38
ACER2 Q5QJU3 1/20 0.38

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
SCHEMBL6553971 0.86 ALDH1A1 (0.50) FAAHMEN1KMT2AMAPK1FFAR4
SCHEMBL7040097 0.86 ALDH1A1 (0.50) FAAHMEN1KMT2AMAPK1FFAR4
SCHEMBL9305130 0.79 GPR84 (0.55) MEN1KMT2AFFAR4FFAR1ALDH1A1
SCHEMBL13963511 0.74 ACE2 (0.46) FAAHFFAR4FFAR1ACE2
SCHEMBL21452007 0.72 CA1 (0.50) FAAHFFAR4FFAR1ACE2
SCHEMBL6336782 0.70 ALDH1A1 (0.50) FAAHMEN1KMT2AMAPK1FFAR4
SCHEMBL4697030 0.70 CA1 (0.52) FAAHFFAR4FFAR1ACE2
SCHEMBL9849654 0.69 CA1 (0.47) FAAHFFAR4FFAR1HRH3ACE2
SCHEMBL29233002 0.69 FAAH (0.49) FAAHMEN1KMT2AMAPK1FFAR4
SCHEMBL871714 0.69 ALDH1A1 (0.52) FAAHMEN1KMT2AMAPK1FFAR4

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-1292566-A2 PROCESS FOR HYDROLYZING AMIDO-CARBOXYLIC ACID ESTERS INTO AMIDO-CARBOXYLIC ACIDS EASTMAN CHEMICAL COMPANY (US) 2003-03-19 EP disclosed
US-6497644-B2 Process for recycling amido-carboxylic acid esters into amino-carboxylic acids EASTMAN CHEMICAL COMPANY 2002-12-24 US disclosed
WO-2001092209-A2 PROCESS FOR HYDROLYZING AMIDO-CARBOXYLIC ACID ESTERS INTO AMIDO-CARBOXYLIC ACIDS EASTMAN CHEMICAL COMPANY (US) 2001-12-06 WO disclosed