SCHEMBL4373786

SCHEMBL4373786

CCOC(=O)/C=C(/C)c1ccc(Oc2ccc(OCC(=O)OCC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
PRSS1 P07477 1/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
PTPN1 P18031 2/20 0.42
TBXAS1 P24557 1/20 0.42

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
SCHEMBL4373788 1.00 GAA (0.51) GAANPSR1F2PLGPRSS1
SCHEMBL4540564 0.90 F2 (0.45) GAANPSR1F2PLGPRSS1
SCHEMBL4540567 0.90 F2 (0.45) GAANPSR1F2PLGPRSS1
SCHEMBL4741524 0.89 F2 (0.52) NPSR1F2PLGPRSS1MAPT
SCHEMBL4799775 0.89 F2 (0.52) NPSR1F2PLGPRSS1MAPT
SCHEMBL4379511 0.84 KDM4E (0.45) GAANPSR1F2PLGPRSS1
SCHEMBL4373468 0.83 MAPT (0.59) GAANPSR1MAPTPOLBLMNA
SCHEMBL11550281 0.83 GAA (0.70) GAANPSR1MAPTPOLBLMNA
SCHEMBL15000395 0.81 TP53 (0.51) GAAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL4786981 0.80 F2 (0.51) F2PLGPRSS1MAPTLMNA

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