SCHEMBL7120599

SCHEMBL7120599

COc1ccc(O)c(-c2cc(=O)c3ccccc3o2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.66
AKR1C2 P52895 1/20 0.66
AKR1C1 Q04828 1/20 0.66
KDM4E B2RXH2 9/20 0.65
CYP3A4 P08684 8/20 0.65
HPGD P15428 8/20 0.65
MAPT P10636 8/20 0.65
ALDH1A1 P00352 7/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
TP53 P04637 5/20 0.65
RAB9A P51151 4/20 0.65
HSD17B10 Q99714 4/20 0.65
NPC1 O15118 3/20 0.65
TNKS O95271 3/20 0.65
LMNA P02545 1/20 0.65
GLA P06280 1/20 0.65
THRB P10828 1/20 0.65
KCNA5 P22460 1/20 0.65
MAOB P27338 1/20 0.65
KCNH2 Q12809 1/20 0.65

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
SCHEMBL7121068 0.91 HPGD (0.72) AKR1C3AKR1C2AKR1C1KDM4ECYP3A4
SCHEMBL30089725 0.85 AR (0.72) KDM4ECYP3A4HPGDMAPTALDH1A1
SCHEMBL22806289 0.84 ALDH1A1 (0.65) AKR1C3AKR1C2AKR1C1KDM4ECYP3A4
SCHEMBL7127255 0.84 KDM4E (0.73) AKR1C3AKR1C2AKR1C1KDM4ECYP3A4
SCHEMBL12830223 0.83 MEN1 (0.72) KDM4ECYP3A4HPGDMAPTALDH1A1
SCHEMBL4649397 0.83 AR (0.72) KDM4ECYP3A4HPGDMAPTALDH1A1
SCHEMBL29370223 0.82 HPGD (0.81) AKR1C3AKR1C2AKR1C1KDM4ECYP3A4
SCHEMBL16670860 0.82 HPGD (0.81) AKR1C3AKR1C2AKR1C1KDM4ECYP3A4
SCHEMBL312467 0.82 ALDH1A1 (0.65) AKR1C3AKR1C2AKR1C1KDM4ECYP3A4
SCHEMBL8934553 0.81 GABRP (0.64) KDM4ECYP3A4HPGDMAPTALDH1A1

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