SCHEMBL7121068

SCHEMBL7121068

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.72
CYP3A4 P08684 9/20 0.72
KDM4E B2RXH2 8/20 0.72
CYP2C19 P33261 8/20 0.72
MEN1 O00255 8/20 0.72
KMT2A Q03164 8/20 0.72
CYP2C9 P11712 7/20 0.72
AKR1C3 P42330 1/20 0.68
AKR1C2 P52895 1/20 0.68
AKR1C1 Q04828 1/20 0.68
MAPT P10636 7/20 0.67
TP53 P04637 7/20 0.67
ALDH1A1 P00352 6/20 0.67
RAB9A P51151 5/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
NPC1 O15118 4/20 0.67
TNKS O95271 4/20 0.67
HSD17B10 Q99714 3/20 0.67
LMNA P02545 1/20 0.67
GLA P06280 1/20 0.67

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
SCHEMBL7120599 0.91 AKR1C3 (0.66) HPGDCYP3A4KDM4ECYP2C19MEN1
SCHEMBL4649397 0.86 AR (0.72) HPGDCYP3A4KDM4ECYP2C19MEN1
SCHEMBL312467 0.85 ALDH1A1 (0.65) HPGDCYP3A4KDM4ECYP2C19MEN1
SCHEMBL7127255 0.85 KDM4E (0.73) HPGDCYP3A4KDM4ECYP2C19MEN1
SCHEMBL4650047 0.84 HPGD (1.00) HPGDCYP3A4KDM4ECYP2C19MEN1
SCHEMBL30089725 0.84 AR (0.72) HPGDCYP3A4KDM4ECYP2C19MEN1
SCHEMBL22806289 0.83 ALDH1A1 (0.65) HPGDCYP3A4KDM4ECYP2C19MEN1
SCHEMBL2398219 0.82 KDM4E (0.66) HPGDCYP3A4KDM4ECYP2C19MEN1
SCHEMBL15676335 0.82 HPGD (0.74) HPGDCYP3A4KDM4ECYP2C19MEN1
SCHEMBL312354 0.81 ALDH1A1 (0.75) HPGDCYP3A4KDM4ECYP2C19MEN1

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