SCHEMBL7127255

SCHEMBL7127255

COc1ccc2c(=O)cc(-c3ccccc3O)oc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.73
ALDH1A1 P00352 4/20 0.73
MAPT P10636 3/20 0.73
NPC1 O15118 2/20 0.73
RAB9A P51151 2/20 0.73
GAA P10253 1/20 0.73
HPGD P15428 4/20 0.69
TP53 P04637 4/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
TNKS O95271 3/20 0.69
ALOX15 P16050 1/20 0.69
CYP19A1 P11511 1/20 0.69
CYP3A4 P08684 4/20 0.66
HSD17B10 Q99714 3/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
CYP2D6 P10635 1/20 0.66
AKR1C3 P42330 1/20 0.66

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
SCHEMBL7114994 0.90 KDM4E (0.66) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL7079968 0.86 MEN1 (0.64) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL12830223 0.86 MEN1 (0.72) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL7121068 0.85 HPGD (0.72) KDM4EALDH1A1MAPTNPC1RAB9A
7,2'-Dimethoxyflavone SCHEMBL4285153 0.85 AR (0.81) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL9140634 0.84 KDM4E (0.73) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL7120599 0.84 AKR1C3 (0.66) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL15676209 0.82 MEN1 (0.74) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL131759 0.82 MEN1 (1.00) KDM4EALDH1A1MAPTHPGDTP53
SCHEMBL29373668 0.82 MEN1 (1.00) KDM4EALDH1A1MAPTHPGDTP53

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