SCHEMBL14701645

SCHEMBL14701645

CC(CC(C)(C)C)C(=O)O[C@H](C[C@H](OC(=O)C(C)(C)CC(C)(C)C)[C@H](OC(=O)C(C)(C)CC(C)(C)C)C(=O)O)C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL14701570 0.69
SCHEMBL19852089 0.63 SLC1A3 (0.34)
SCHEMBL14701571 0.63 SLC1A3 (0.34)
SCHEMBL19851970 0.63 SLC1A3 (0.34)
SCHEMBL14701568 0.61 MMP1 (0.36)
SCHEMBL14701569 0.61 MMP1 (0.36)
SCHEMBL12477211 0.59 MMP8 (0.31)
SCHEMBL13390827 0.59 KMT2A (0.61) MEN1KMT2AHSD17B10
SCHEMBL14701647 0.56 MMP2 (0.33)
SCHEMBL12120675 0.56

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