SCHEMBL7123887

SCHEMBL7123887

COc1ccc2c(-c3ccccc3)c(-c3ccc(Cl)cc3Cl)c(=O)oc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.60
ALDH1A1 P00352 7/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
KDM4E B2RXH2 6/20 0.50
MAPT P10636 4/20 0.50
TNKS O95271 1/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
GAA P10253 1/20 0.48
MAOB P27338 2/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 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
SCHEMBL7125137 0.90 CYP19A1 (0.57) CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5436842 0.88 KDM4E (0.51) CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7120550 0.87 CYP19A1 (0.72) CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7127315 0.85 ESR2 (0.47) CYP19A1ALDH1A1CA1CA2KDM4E
SCHEMBL7117556 0.84 ALDH1A1 (0.67) CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7116850 0.84 KDM4E (0.62) CYP19A1ALDH1A1CA1CA2KDM4E
SCHEMBL7122395 0.83 CA1 (0.48) ALDH1A1CA1CA2KDM4ETNKS
SCHEMBL5094331 0.83 ESR1 (0.59) ALDH1A1KDM4EMAOBKMT2AMEN1
SCHEMBL7117813 0.82 ALDH1A1 (0.64) CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13819275 0.79 ALDH1A1 (0.63) CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19

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