SCHEMBL17689294

SCHEMBL17689294

CCCCCCCCCC(=CC1=C(C)C(=O)C(C)=C(C)C1=O)C(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CC

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 5/20 0.45

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
SCHEMBL17277149 0.93 APEX1 (0.44) APEX1
SCHEMBL17277629 0.83 APEX1 (0.59) APEX1
SCHEMBL17834007 0.83 APEX1 (0.59) APEX1
SCHEMBL17689293 0.80 APEX1 (0.55) APEX1
SCHEMBL17277148 0.76 APEX1 (0.57) APEX1
SCHEMBL17689291 0.74 APEX1 (0.75) APEX1
SCHEMBL19821304 0.71 EPHX2 (0.42)
SCHEMBL17689292 0.69 APEX1 (0.57) APEX1
SCHEMBL15711325 0.68 APEX1 (0.51) APEX1
SCHEMBL17277627 0.68 APEX1 (0.72) APEX1

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-9315481-B2 Compounds and methods for treating leukemia INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-04-19 US disclosed