SCHEMBL3829072

SCHEMBL3829072

CCCCCCCCC=CCCCCCCCCN1CC(C(=O)O)CC1=O.CCCCCCCCC=CCCCCCCCCN1CC(C(=O)O)CC1=O.CCCCCCCCC=CCCCCCCCCN1CC(C(=O)OCC(O)CO)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.47
FAAH O00519 4/20 0.43
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
DUSP3 P51452 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LPAR1 Q92633 2/20 0.35

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
Glycerin SCHEMBL3844851 0.90 POLB (0.45) DGKAFAAHPOLBMEN1KMT2A
SCHEMBL3825321 0.86 MEN1 (0.47) DGKAFAAHPOLBMEN1KMT2A
SCHEMBL3825328 0.86 MEN1 (0.47) DGKAFAAHPOLBMEN1KMT2A
SCHEMBL688297 0.85 POLB (0.49) FAAHPOLBMEN1KMT2ACYP2C19
SCHEMBL1360713 0.85 POLB (0.49) FAAHPOLBMEN1KMT2ACYP2C19
SCHEMBL3844849 0.83 MEN1 (0.40) FAAHMEN1KMT2ACYP2C19L3MBTL1
SCHEMBL2889307 0.83 POLB (0.49) FAAHPOLBMEN1KMT2ACYP2C19
SCHEMBL3823823 0.82 MEN1 (0.40) FAAHMEN1KMT2ACYP2C19L3MBTL1
SCHEMBL3823832 0.82 MEN1 (0.40) FAAHMEN1KMT2ACYP2C19L3MBTL1
Monoethanolamine SCHEMBL2889305 0.81 L3MBTL1 (0.43) FAAHPOLBMEN1KMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722589-B2 Use of 1-alkyl-5-oxopyrrolidine-3-carboxylic esters as gas hydrate inhibitors with improved biodegradability CLARIANT FINANCE (BVI) LIMITED (VG) 2014-05-13 US disclosed
US-20090042747-A1 Use of 1-alkyl-5-oxopyrrolidine-3-carboxylic esters as gas hydrate inhibitors with improved biodegradability CLARIANT INTERNATIONAL LTD. 2009-02-12 US disclosed