SCHEMBL4787074

SCHEMBL4787074

CC(=O)c1ccc(Oc2ccc3ccc(Oc4ccc(C(C)=O)cc4)cc3c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.73
MAPT P10636 2/20 0.73
RAB9A P51151 1/20 0.73
ESRRA P11474 1/20 0.57
CYP2A6 P11509 1/20 0.52
SCN7A Q01118 1/20 0.50
KCNH2 Q12809 1/20 0.50
SCN9A Q15858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 2/20 0.47
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
KDM4E B2RXH2 1/20 0.46
STS P08842 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
PARP10 Q53GL7 3/20 0.45
PARP15 Q460N3 2/20 0.45

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
SCHEMBL9619696 0.96 HPGD (0.79) HPGDMAPTRAB9AESRRACYP2A6
SCHEMBL9619566 0.89 MAPT (0.68) HPGDMAPTRAB9AESRRASCN7A
SCHEMBL9619563 0.87 RAB9A (0.66) HPGDMAPTRAB9AESRRASCN7A
SCHEMBL203697 0.85 HPGD (1.00) HPGDMAPTRAB9AESRRAL3MBTL1
SCHEMBL3301210 0.85 HPGD (1.00) HPGDMAPTRAB9AESRRAL3MBTL1
SCHEMBL3719405 0.84 MAPT (0.60) HPGDMAPTRAB9AESRRACYP2A6
SCHEMBL4373011 0.82 HPGD (0.49) HPGDMAPTRAB9AL3MBTL1GAA
SCHEMBL9619573 0.81 LMNA (0.53) HPGDMAPTRAB9AGAAKDM4E
SCHEMBL4740832 0.81 MAPT (0.47) HPGDMAPTRAB9AESRRACYP2A6
SCHEMBL822845 0.80 LMNA (0.55) HPGDMAPTRAB9ACYP2A6SMN1; SMN2

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 2 patents. 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
EP-0467826-A2 Linear polymers CIBA-GEIGY AG (CH) 1992-01-22 EP disclosed