SCHEMBL3828274

SCHEMBL3828274

[CH2]C([CH2])(COC(=O)C1CC(=O)N(CC(C)C)C1)COC(=O)C1CC(=O)N(CC(C)C)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
P2RX7 Q99572 2/20 0.42
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
BRD4 O60885 1/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL3826291 0.91 POLB (0.58) POLBP2RX7ALDH1A1KMT2ATSHR
SCHEMBL15042019 0.86 POLB (0.66) POLBP2RX7ALDH1A1KMT2ATSHR
SCHEMBL12145251 0.85 POLB (0.68) POLBP2RX7ALDH1A1KMT2ATSHR
SCHEMBL3824098 0.83 POLB (0.66) POLBP2RX7ALDH1A1KMT2ATSHR
SCHEMBL1360703 0.81 POLB (0.62) POLBP2RX7ALDH1A1KMT2ATSHR
SCHEMBL15042171 0.80 POLB (0.69) POLBP2RX7ALDH1A1KMT2AMEN1
SCHEMBL3843203 0.79 POLB (0.59) POLBP2RX7ALDH1A1KMT2ATSHR
SCHEMBL12667786 0.79 POLB (0.59) POLBP2RX7ALDH1A1KMT2ATSHR
SCHEMBL15042178 0.77 POLB (0.57) POLBP2RX7ALDH1A1KMT2AMEN1
SCHEMBL15042018 0.77 POLB (0.52) POLBALDH1A1KMT2ATSHRMAPK1

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