SCHEMBL3829040

SCHEMBL3829040

CCCCCCCC/C=C\CCCCCCCCN1CC(C(=O)OCC(COC(=O)C2CC(=O)N(CCCCCCCC/C=C\CCCCCCCC)C2)(COC(=O)C2CC(=O)N(CCCCCCCC/C=C\CCCCCCCC)C2)COC(=O)C2CC(=O)N(CCCCCCCC/C=C\CCCCCCCC)C2)CC1=O.[CH2]C([CH2])([CH2])[CH2]

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FAAH O00519 3/20 0.37
MGLL Q99685 2/20 0.37
LMNA P02545 1/20 0.35
BRD4 O60885 1/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
RECQL P46063 1/20 0.34
HPGD P15428 1/20 0.34
GBA1 P04062 1/20 0.34

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
SCHEMBL3828270 0.93 ALDH1A1 (0.43) ALDH1A1L3MBTL1CYP2C19MEN1KMT2A
SCHEMBL3825328 0.84 MEN1 (0.47) ALDH1A1L3MBTL1CYP2C19MEN1KMT2A
SCHEMBL1361571 0.84 L3MBTL1 (0.42) ALDH1A1L3MBTL1CYP2C19MEN1KMT2A
SCHEMBL3825321 0.84 MEN1 (0.47) ALDH1A1L3MBTL1CYP2C19MEN1KMT2A
SCHEMBL15041982 0.82 ALDH1A1 (0.60) ALDH1A1L3MBTL1CYP2C19MEN1KMT2A
SCHEMBL15041993 0.82 ALDH1A1 (0.60) ALDH1A1L3MBTL1CYP2C19MEN1KMT2A
SCHEMBL14477979 0.82 ALDH1A1 (0.60) ALDH1A1L3MBTL1CYP2C19MEN1KMT2A
SCHEMBL15042138 0.82 ALDH1A1 (0.60) ALDH1A1L3MBTL1CYP2C19MEN1KMT2A
SCHEMBL12668088 0.82 ALDH1A1 (0.60) ALDH1A1L3MBTL1CYP2C19MEN1KMT2A
SCHEMBL15042013 0.82 ALDH1A1 (0.60) ALDH1A1L3MBTL1CYP2C19MEN1KMT2A

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