SCHEMBL726402

SCHEMBL726402

CC(C)CCCC(C)CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAA50 Q9GZZ1 2/20 0.82
CHAT P28329 2/20 0.78
EP300 Q09472 4/20 0.77
KAT5 Q92993 2/20 0.77
AURKA O14965 2/20 0.77
KAT2B Q92831 1/20 0.77
CREBBP Q92793 1/20 0.71

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
SCHEMBL29374864 0.96 NAA50 (0.81) NAA50CHATEP300KAT5AURKA
SCHEMBL30761742 0.96 NAA50 (0.81) NAA50CHATEP300KAT5AURKA
SCHEMBL23924590 0.96 NAA50 (0.86) NAA50CHATEP300KAT5AURKA
SCHEMBL14992960 0.96 NAA50 (0.86) NAA50CHATEP300KAT5AURKA
SCHEMBL30221076 0.96 NAA50 (0.86) NAA50CHATEP300KAT5AURKA
Ammonia Solution, Strong SCHEMBL30231959 0.96 NAA50 (0.80) NAA50CHATEP300KAT5AURKA
SCHEMBL3193375 0.96 NAA50 (0.82) NAA50CHATEP300KAT5AURKA
SCHEMBL29652004 0.95 NAA50 (0.80) NAA50CHATEP300KAT5AURKA
SCHEMBL20608400 0.95 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL29896426 0.95 NAA50 (0.84) NAA50CHATEP300KAT5AURKA

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
US-8859519-B2 Methods targeting miR-33 microRNAs for regulating lipid metabolism THE GENERAL HOSPITAL CORPORATION (US) 2014-10-14 US disclosed
US-20130245093-A1 METHODS TARGETING MIR-33 MICRORNAS FOR REGULATING LIPID METABOLISM THE GENERAL HOSPITAL CORPORATION (US) 2013-09-19 US disclosed
EP-2608812-A2 METHODS TARGETING MIR-33 MICRORNAS FOR REGULATING LIPID METABOLISM The General Hospital Corporation (US) 2013-07-03 EP disclosed
WO-2012027601-A2 METHODS TARGETING MIR-33 MICRORNAS FOR REGULATING LIPID METABOLISM THE GENERAL HOSPITAL CORPORATION (US) 2012-03-01 WO disclosed