SCHEMBL3825328

SCHEMBL3825328

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.40
MGLL Q99685 2/20 0.39
FAAH O00519 1/20 0.39
BRD4 O60885 1/20 0.36
DGKA P23743 1/20 0.36
GBA1 P04062 1/20 0.36
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 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
SCHEMBL3825321 1.00 MEN1 (0.47) MEN1CYP2C19KMT2AL3MBTL1ALDH1A1
SCHEMBL3844849 0.90 MEN1 (0.40) MEN1CYP2C19KMT2AL3MBTL1ALDH1A1
SCHEMBL3823832 0.89 MEN1 (0.40) MEN1CYP2C19KMT2AL3MBTL1ALDH1A1
SCHEMBL3823823 0.89 MEN1 (0.40) MEN1CYP2C19KMT2AL3MBTL1ALDH1A1
SCHEMBL1361571 0.87 L3MBTL1 (0.42) MEN1CYP2C19KMT2AL3MBTL1ALDH1A1
SCHEMBL3829072 0.86 DGKA (0.47) MEN1CYP2C19KMT2AL3MBTL1ALDH1A1
SCHEMBL3828270 0.85 ALDH1A1 (0.43) MEN1CYP2C19KMT2AL3MBTL1ALDH1A1
SCHEMBL3829040 0.84 ALDH1A1 (0.42) MEN1CYP2C19KMT2AL3MBTL1ALDH1A1
SCHEMBL8154312 0.83 L3MBTL1 (0.43) MEN1CYP2C19KMT2AL3MBTL1ALDH1A1
SCHEMBL3825325 0.83 DGKA (0.45) FAAHDGKA

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