SCHEMBL14007666

SCHEMBL14007666

CC(C)(C)OC(=O)N=C(NCCCC1CN(C(=O)OCc2ccccc2)C(CCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CN1C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.46
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
MAPT P10636 1/20 0.41
KLK7 P49862 3/20 0.40
KLK5 Q9Y337 3/20 0.40
SYK P43405 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
PRCP P42785 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSL P07711 1/20 0.38
AGTR2 P50052 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL12571328 0.88 ABCB1 (0.54) ABCB1PDK1PDK2PDK3PDK4
SCHEMBL13243337 0.81 HTT (0.44) MAPTKLK7KLK5SYKL3MBTL1
SCHEMBL26374272 0.80 SMN1; SMN2 (0.50) MAPTKLK7KLK5SYKL3MBTL1
SCHEMBL13430793 0.78 SIRT2 (0.52) MAPTKLK7KLK5SYKITGB3
SCHEMBL9178484 0.77 MAPT (0.48) MAPTKLK7KLK5SYKL3MBTL1
SCHEMBL9179022 0.77 MAPT (0.48) MAPTKLK7KLK5SYKL3MBTL1
SCHEMBL13430794 0.77 SIRT2 (0.52) MAPTKLK7KLK5SYKITGB3
SCHEMBL28633511 0.76 MAPT (0.52) MAPTKLK7KLK5SYKL3MBTL1
SCHEMBL13430791 0.76 SYK (0.48) MAPTKLK7KLK5SYKL3MBTL1
SCHEMBL20556340 0.76 SYK (0.51) MAPTKLK7KLK5SYKITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456184-B2 Melanocortin receptor-specific compounds PALATIN TECHNOLOGIES INC. (US) 2008-11-25 US disclosed