SCHEMBL7119203

SCHEMBL7119203

CCOc1ccc2c(C)c(-c3ccc(Cl)cc3Cl)c(=O)oc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.65
ALDH1A1 P00352 7/20 0.65
HPGD P15428 5/20 0.65
GAA P10253 3/20 0.65
ESR2 Q92731 2/20 0.57
ESR1 P03372 1/20 0.57
MAOB P27338 6/20 0.55
MAOA P21397 5/20 0.55
ACHE P22303 3/20 0.55
CCR4 P51679 1/20 0.50
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
KMT2A Q03164 2/20 0.47
STAT1 P42224 1/20 0.47
ALPL P05186 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7117156 0.91 KDM4E (0.52) KDM4EALDH1A1HPGDGAAESR2
SCHEMBL7116863 0.87 KDM4E (0.66) KDM4EALDH1A1HPGDGAAESR2
SCHEMBL7116850 0.87 KDM4E (0.62) KDM4EALDH1A1HPGDGAAESR2
SCHEMBL5436842 0.85 KDM4E (0.51) KDM4EALDH1A1HPGDGAAESR2
SCHEMBL5088527 0.80 ESR1 (0.88) KDM4EALDH1A1HPGDGAAESR2
SCHEMBL15842938 0.79 KDM4E (1.00) KDM4EALDH1A1HPGDGAAMAOB
SCHEMBL26743702 0.79 HPGD (0.78) KDM4EALDH1A1HPGDGAAMAOB
SCHEMBL7113499 0.78 ESR2 (0.60) KDM4EALDH1A1HPGDGAAESR2
SCHEMBL7115086 0.78 ESR1 (0.51) KDM4EALDH1A1HPGDGAAESR2
SCHEMBL7120274 0.78 ESR2 (0.59) ESR2ESR1MAOBMAOAPOLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003504327-A 2003-02-04 JP claimed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP claimed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO claimed
US-6555523-B1 Such as 3',4'-diacetoxy-5,6,7-trimethoxyflavone or naringin in the treatment HIV, picornavirus, and/or respiratory virus CASCADE ESTATES LTD. (MU) 2003-04-29 US disclosed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP disclosed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO disclosed