SCHEMBL3829535

SCHEMBL3829535

CC(C)CN1CC(C(=O)O)CC1=O.CC(C)CN1CC(C(=O)O)CC1=O.CC(C)CN1CC(C(=O)OCC(O)CO)CC1=O

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
P2RX7 Q99572 2/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.36

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 SCHEMBL3843204 0.88 POLB (0.83) POLBMAPTSMN1; SMN2P2RX7HTT
SCHEMBL3824098 0.84 POLB (0.66) POLBMAPTP2RX7L3MBTL1ALDH1A1
SCHEMBL3821889 0.83 BRD4 (0.51) POLBMAPTSMN1; SMN2HTTKMT2A
SCHEMBL688492 0.82 POLB (1.00) POLBMAPTSMN1; SMN2P2RX7HTT
SCHEMBL12145251 0.80 POLB (0.68) POLBMAPTP2RX7L3MBTL1ALDH1A1
SCHEMBL29265031 0.79 POLB (0.67) POLBMAPTSMN1; SMN2HTTL3MBTL1
SCHEMBL3843203 0.79 POLB (0.59) POLBP2RX7L3MBTL1ALDH1A1KMT2A
SCHEMBL15042019 0.79 POLB (0.66) POLBP2RX7L3MBTL1ALDH1A1KMT2A
SCHEMBL3829072 0.78 DGKA (0.47) POLBSMN1; SMN2L3MBTL1ALDH1A1KMT2A
Triethylene Glycol SCHEMBL1360705 0.77 POLB (0.76) POLBMAPTSMN1; SMN2P2RX7HTT

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