SCHEMBL3821889

SCHEMBL3821889

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.51
MAPT P10636 1/20 0.42
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 1/20 0.36
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
GAA P10253 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
Glycerin SCHEMBL3843494 0.86 MAPT (0.51) BRD4MAPTPOLBSMN1; SMN2KMT2A
SCHEMBL3829535 0.83 POLB (0.67) MAPTPOLBSMN1; SMN2KMT2AHTT
SCHEMBL3822795 0.79 BRD4 (0.61) BRD4MAPTPOLBSMN1; SMN2KMT2A
SCHEMBL3843491 0.77 BRD4 (0.58) BRD4MAPTPOLBSMN1; SMN2KMT2A
SCHEMBL15684270 0.77 BRD4 (0.63) BRD4MAPTPOLBSMN1; SMN2KMT2A
SCHEMBL119901 0.77 BRD4 (0.63) BRD4MAPTPOLBSMN1; SMN2KMT2A
SCHEMBL30307671 0.77 BRD4 (0.63) BRD4MAPTPOLBSMN1; SMN2KMT2A
SCHEMBL2811918 0.77 BRD4 (0.63) BRD4MAPTPOLBSMN1; SMN2KMT2A
SCHEMBL3826960 0.74 BRD4 (0.53) BRD4MAPTPOLBSMN1; SMN2KMT2A
SCHEMBL30282498 0.74 BRD4 (0.67) BRD4MAPTPOLBSMN1; SMN2KMT2A

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