SCHEMBL14701647

SCHEMBL14701647

CCCNC(=O)CC[C@H](OC(=O)C(C)(C)CC(C)C)[C@H](OC(=O)C(C)(C)CC(C)(C)C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP12 P39900 1/20 0.33
MMP14 P50281 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL14701568 0.77 MMP1 (0.36) MMP2MMP9MMP8
SCHEMBL14701569 0.77 MMP1 (0.36) MMP2MMP9MMP8
SCHEMBL19851970 0.69 SLC1A3 (0.34) MMP2MMP9
SCHEMBL14701571 0.69 SLC1A3 (0.34) MMP2MMP9
SCHEMBL19852089 0.69 SLC1A3 (0.34) MMP2MMP9
SCHEMBL14701570 0.65
SCHEMBL24140629 0.65 MMP8 (0.36) MMP8
SCHEMBL19328626 0.64 MMP8 (0.36) MMP8
SCHEMBL1518045 0.64 ALDH1A1 (0.57) MMP2MMP9MMP8MMP12MMP14
SCHEMBL18738812 0.63 MMP2 (0.49) MMP2MMP9MMP8MMP12MMP14

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
WO-2013023003-A1 BIOACTIVE AMPHIPHILIC POLYMER STABILIZED NANOPARTICLES WITH ENHANCED STABILITY AND ACTIVITY RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-02-14 WO disclosed