SCHEMBL4743462

SCHEMBL4743462

CC(=O)c1ccc(Oc2cccc3c(Oc4ccc(CC=O)cc4)cccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
MAOB P27338 9/20 0.43
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
SIRT5 Q9NXA8 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
MAOA P21397 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4786081 0.87 MAPT (0.64) MAPTHPGDRAB9AMAOBL3MBTL1
SCHEMBL26327986 0.85 MAPT (0.68) MAPTHPGDRAB9AMAOBL3MBTL1
SCHEMBL4744025 0.85 MAPT (0.68) MAPTHPGDRAB9AMAOBL3MBTL1
SCHEMBL4374328 0.81 ESR1 (0.46) MAPTHPGDCARM1PRMT6SMN1; SMN2
SCHEMBL9619575 0.80 ESR1 (0.57) MAPTHPGDRAB9AL3MBTL1SMN1; SMN2
SCHEMBL4543869 0.80 ESR1 (0.57) MAPTHPGDRAB9AL3MBTL1SMN1; SMN2
SCHEMBL4743133 0.78 LMNA (0.47) MAPTHPGDL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1260786 0.78 KMT2A (0.64) MAPTHPGDRAB9AMAOBL3MBTL1
SCHEMBL10825749 0.78 HPGD (0.56) MAPTHPGDRAB9ACARM1PRMT6
SCHEMBL697644 0.77 MAPT (0.56) MAPTHPGDRAB9AMAOBL3MBTL1

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-2008099415-A1 NOVEL SUBSTITUTED BIS-1, 2, 4-TRIOXANES AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-08-21 WO disclosed