SCHEMBL3828937

SCHEMBL3828937

CCCCOCCOCCOCCOC(=O)C1CC(=O)N(CC(C)C)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
KMT2A Q03164 3/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.40
P2RX7 Q99572 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
RECQL P46063 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 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
SCHEMBL12667786 0.93 POLB (0.59) POLBKMT2ACYP2C19MEN1L3MBTL1
SCHEMBL1360703 0.93 POLB (0.62) POLBKMT2ACYP2C19MEN1L3MBTL1
SCHEMBL12145251 0.89 POLB (0.68) POLBKMT2ACYP2C19MEN1L3MBTL1
SCHEMBL15042178 0.88 POLB (0.57) POLBKMT2ACYP2C19MEN1L3MBTL1
SCHEMBL15042180 0.84 POLB (0.48) POLBKMT2ACYP2C19MEN1L3MBTL1
SCHEMBL15042019 0.82 POLB (0.66) POLBKMT2ACYP2C19MEN1L3MBTL1
SCHEMBL12667789 0.81 KMT2A (0.62) POLBKMT2ACYP2C19MEN1L3MBTL1
SCHEMBL3823291 0.81 BRD4 (0.54) KMT2ACYP2C19MEN1L3MBTL1SMN1; SMN2
SCHEMBL3826281 0.80 POLB (0.53) POLBKMT2ACYP2C19MEN1L3MBTL1
SCHEMBL15042126 0.80 POLB (0.46) POLBKMT2ACYP2C19MEN1L3MBTL1

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