SCHEMBL7780361

SCHEMBL7780361

NC(=O)CCC(N)C(=O)OC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP19A1 P11511 2/20 0.40
NAAA Q02083 2/20 0.38
EPHX1 P07099 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
ALOX5 P09917 1/20 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
SCHEMBL7780365 1.00 ALOX15 (0.44) ALOX15BLMPMP22KMT2ACYP19A1
SCHEMBL1845736 0.87 GRIN1 (0.46) BLMCYP19A1NAAAEPHX1L3MBTL1
SCHEMBL29202853 0.87 NAAA (0.49) CYP19A1NAAAEPHX1L3MBTL1CYP2C19
SCHEMBL1845735 0.87 GRIN1 (0.46) BLMCYP19A1NAAAEPHX1L3MBTL1
SCHEMBL7779238 0.84 L3MBTL1 (0.43) CYP19A1NAAAEPHX1L3MBTL1CYP2C19
SCHEMBL7779241 0.84 L3MBTL1 (0.43) CYP19A1NAAAEPHX1L3MBTL1CYP2C19
SCHEMBL8647815 0.81 BLM (0.45) ALOX15BLMPMP22KMT2ADPP4
SCHEMBL15543405 0.81 MAPK13 (0.39) CYP19A1NAAAEPHX1L3MBTL1DPP4
SCHEMBL4027366 0.81 NAAA (0.39) CYP19A1NAAAEPHX1L3MBTL1CYP2C19
SCHEMBL4027364 0.81 NAAA (0.39) CYP19A1NAAAEPHX1L3MBTL1CYP2C19

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