SCHEMBL29276294

SCHEMBL29276294

CN(CC(=O)[O-])CC(=O)[O-].[Ba+2]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
BBOX1 O75936 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA4 P22748 2/20 0.37
FFAR3 O14843 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
CA1 P00915 3/20 0.33
CASP1 P29466 1/20 0.33
CA2 P00918 1/20 0.33
SLC6A9 P48067 3/20 0.32

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
SCHEMBL150760 0.94 KDM4E (0.42) CYP2C19BBOX1KDM4EMAPTALOX15
SCHEMBL692963 0.94 BBOX1 (0.37) CYP2C19BBOX1KDM4EMAPTALOX15
SCHEMBL30831235 0.94 BBOX1 (0.37) CYP2C19BBOX1KDM4EMAPTALOX15
Potassium Ion SCHEMBL434991 0.94 BBOX1 (0.37) CYP2C19BBOX1KDM4EMAPTALOX15
SCHEMBL31636033 0.84 KDM4E (0.37) CYP2C19BBOX1KDM4EMAPTALOX15
SCHEMBL28432505 0.82 KDM4E (0.35) CYP2C19KDM4EMAPTALOX15SMN1; SMN2
Potassium Ion SCHEMBL4411096 0.80
Potassium Ion SCHEMBL27236426 0.76 MAPT (0.50) BBOX1KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL22150642 0.75
SCHEMBL22115437 0.75 BBOX1 (0.37) BBOX1KDM4EMAPTALOX15SMN1; SMN2

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
CN-117142704-A Treatment method of N-acyl sarcosine high-salt wastewater 河北诚信集团有限公司 2023-12-01 CN claimed
CN-117142704-A Treatment method of N-acyl sarcosine high-salt wastewater 河北诚信集团有限公司 2023-12-01 CN disclosed