SCHEMBL7780247

SCHEMBL7780247

N[C@@H](CC(=O)O)C(=O)OC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 1/20 0.44
CYP2C19 P33261 1/20 0.42
EPHX1 P07099 2/20 0.41
DPP4 P27487 2/20 0.40
CYP19A1 P11511 1/20 0.40
GRIK1 P39086 2/20 0.39
NAAA Q02083 1/20 0.38
ST6GAL1 P15907 1/20 0.37
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
HTT P42858 1/20 0.37
GRIK2 Q13002 1/20 0.37
TYR P14679 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
LMNA P02545 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
SCHEMBL7780245 1.00 L3MBTL1 (0.54) L3MBTL1ALDH1A1CYP2C19EPHX1DPP4
SCHEMBL6535845 0.85 CYP2C19 (0.50) L3MBTL1CYP2C19EPHX1CYP19A1GRIK1
SCHEMBL7779241 0.85 L3MBTL1 (0.43) L3MBTL1ALDH1A1CYP2C19EPHX1CYP19A1
SCHEMBL7779238 0.85 L3MBTL1 (0.43) L3MBTL1ALDH1A1CYP2C19EPHX1CYP19A1
SCHEMBL1845736 0.84 GRIN1 (0.46) L3MBTL1EPHX1DPP4CYP19A1GRIK1
SCHEMBL1845735 0.84 GRIN1 (0.46) L3MBTL1EPHX1DPP4CYP19A1GRIK1
SCHEMBL16086118 0.83 EPHX1 (0.42) L3MBTL1CYP2C19EPHX1CYP19A1GRIK1
SCHEMBL15359992 0.83 EPHX1 (0.42) L3MBTL1CYP2C19EPHX1CYP19A1GRIK1
SCHEMBL5868653 0.82 L3MBTL1 (0.38) L3MBTL1DPP4ST6GAL1TYR
SCHEMBL18459936 0.81 EPHX1 (0.41) L3MBTL1CYP2C19EPHX1CYP19A1NAAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022080385-A1 PEPTIDE, AND MODIFICATION OF ANTIBODY WITH PEPTIDE 国立大学法人京都大学 2022-04-21 WO disclosed
EP-1135398-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION Monsanto Technology LLC (US) 2001-09-26 EP disclosed
US-6218563-B1 Cyanophosphonamides and method for preparation MONSANTO COMPANY 2001-04-17 US disclosed
WO-2000032611-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION MONSANTO TECHNOLOGY LLC (US) 2000-06-08 WO disclosed
US-5179082-A Contacting with polypeptide with a specific sequence; cardiovascular surgery; antithrombin MERCK & CO., INC. (US) 1993-01-12 US disclosed