SCHEMBL7779241

SCHEMBL7779241

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
CYP2C19 P33261 1/20 0.42
EPHX1 P07099 3/20 0.41
CYP19A1 P11511 2/20 0.40
NAAA Q02083 2/20 0.38
HTT P42858 1/20 0.37
GRIK1 P39086 2/20 0.36
ALOX5 P09917 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
TYR P14679 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33

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
SCHEMBL7779238 1.00 L3MBTL1 (0.43) L3MBTL1CYP2C19EPHX1CYP19A1NAAA
SCHEMBL6535845 0.85 CYP2C19 (0.50) L3MBTL1CYP2C19EPHX1CYP19A1NAAA
SCHEMBL7780245 0.85 L3MBTL1 (0.54) L3MBTL1CYP2C19EPHX1CYP19A1NAAA
SCHEMBL7780247 0.85 L3MBTL1 (0.54) L3MBTL1CYP2C19EPHX1CYP19A1NAAA
SCHEMBL7780361 0.84 ALOX15 (0.44) L3MBTL1CYP2C19EPHX1CYP19A1NAAA
SCHEMBL7780365 0.84 ALOX15 (0.44) L3MBTL1CYP2C19EPHX1CYP19A1NAAA
SCHEMBL16086118 0.83 EPHX1 (0.42) L3MBTL1CYP2C19EPHX1CYP19A1NAAA
SCHEMBL15359992 0.83 EPHX1 (0.42) L3MBTL1CYP2C19EPHX1CYP19A1NAAA
SCHEMBL18459933 0.81 EPHX1 (0.41) L3MBTL1CYP2C19EPHX1CYP19A1NAAA
SCHEMBL11854049 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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