SCHEMBL4373468

SCHEMBL4373468

CCOC(=O)COc1ccc(Oc2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
HPGD P15428 3/20 0.59
RAB9A P51151 1/20 0.59
GAA P10253 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 3/20 0.50
POLB P06746 3/20 0.50
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL707685 0.95 GAA (0.64) MAPTHPGDGAANPSR1L3MBTL1
SCHEMBL11550281 0.90 GAA (0.70) MAPTHPGDRAB9AGAANPSR1
SCHEMBL4373011 0.88 HPGD (0.49) MAPTHPGDRAB9AGAANPSR1
SCHEMBL16035326 0.83 NPSR1 (0.66) MAPTHPGDGAANPSR1L3MBTL1
SCHEMBL24243599 0.83 MAPT (0.73) MAPTHPGDRAB9AGAANPSR1
SCHEMBL4373786 0.83 GAA (0.51) MAPTHPGDGAANPSR1LMNA
SCHEMBL4373788 0.83 GAA (0.51) MAPTHPGDGAANPSR1LMNA
SCHEMBL17479424 0.83 NPSR1 (0.60) MAPTHPGDGAANPSR1POLB
SCHEMBL14116961 0.83 GAA (0.60) MAPTHPGDGAANPSR1LMNA
SCHEMBL24806572 0.83 GAA (0.60) MAPTHPGDGAANPSR1LMNA

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-2009118747-A1 NOVEL HYDROXY FUNCTIONALIZED 1, 2, 4-TRIOXANES AS ANTIMALARIAL AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-10-01 WO disclosed