SCHEMBL4537812

SCHEMBL4537812

CCOC(=O)COc1cccc2c(Oc3ccc(C(C)=O)cc3)cccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
CASP3 P42574 1/20 0.47
CASP7 P55210 1/20 0.47
CASP9 P55211 1/20 0.47
F9 P00740 1/20 0.46
MAPT P10636 4/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4379511 0.86 KDM4E (0.45) KDM4ECASP3CASP7CASP9F9
SCHEMBL4786081 0.82 MAPT (0.64) MAPTHPGDRAB9ANPC1LMNA
SCHEMBL4373468 0.81 MAPT (0.59) KDM4EMAPTHPGDRAB9ALMNA
SCHEMBL707685 0.79 GAA (0.64) KDM4EMAPTHPGDLMNAPOLB
SCHEMBL4373011 0.76 HPGD (0.49) KDM4EMAPTHPGDRAB9ALMNA
SCHEMBL31520212 0.76 TSHR (0.67) KDM4ECASP3CASP7CASP9F9
SCHEMBL9619575 0.76 ESR1 (0.57) MAPTUSP2HPGDRAB9APOLB
SCHEMBL4543869 0.76 ESR1 (0.57) MAPTUSP2HPGDRAB9APOLB
SCHEMBL11490448 0.76 TSHR (0.67) KDM4ECASP3CASP7CASP9F9
SCHEMBL4787301 0.74 F2 (0.47) KDM4EMAPTHPGDRAB9ALMNA

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