SCHEMBL7782965

SCHEMBL7782965

NCCCCC(N)C(=O)OC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.46
DPP7 Q9UHL4 11/20 0.44
DPP4 P27487 5/20 0.44
DPP8 Q6V1X1 5/20 0.44
DPP9 Q86TI2 4/20 0.43
FAP Q12884 1/20 0.43
TPSAB1 Q15661 3/20 0.42
TPSD1 Q9BZJ3 3/20 0.42
TPSG1 Q9NRR2 3/20 0.42
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
NAAA Q02083 1/20 0.37

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
SCHEMBL7782967 1.00 GSR (0.46) GSRDPP7DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL11524970 0.98 GSR (0.44) GSRDPP7DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL11524966 0.98 GSR (0.44) GSRDPP7DPP4DPP8DPP9
SCHEMBL2544784 0.98 GSR (0.47) GSRDPP7DPP4DPP8DPP9
SCHEMBL28614001 0.95 MAPK13 (0.40) GSRDPP7DPP4DPP8DPP9
SCHEMBL23454411 0.87 DPP7 (0.44) GSRDPP7DPP4DPP8DPP9
SCHEMBL10611587 0.86 GSR (0.42) GSRDPP7DPP4DPP8DPP9
SCHEMBL10611597 0.86 GSR (0.42) GSRDPP7DPP4DPP8DPP9
SCHEMBL30022635 0.84 NAAA (0.51) DPP7DPP4DPP8DPP9FAP
SCHEMBL15543405 0.83 MAPK13 (0.39) DPP7DPP4TPSAB1TPSD1TPSG1

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 4 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
US-4154956-A REACTING A-AMINO-E-CAPROLACTAM WITH AN ALCOHOL AND AN ACID CATALYST, SALT FORMATION, DECYCLIZATION, ESTERIFICATION TORAY INDUSTRIES, INC. (JP) 1979-05-15 US disclosed