SCHEMBL7121802

SCHEMBL7121802

COc1ccc2c(C)c(-c3ccccc3Cl)c(=O)oc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
KDM4E B2RXH2 5/20 0.64
GAA P10253 1/20 0.64
HPGD P15428 1/20 0.64
HSD17B10 Q99714 1/20 0.64
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PIM1 P11309 1/20 0.55
CSNK2A2 P19784 1/20 0.55
CSNK2B P67870 1/20 0.55
PIM3 Q86V86 1/20 0.55
PIM2 Q9P1W9 1/20 0.55
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
NPC1 O15118 5/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
RAB9A P51151 4/20 0.51

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
SCHEMBL7116863 0.87 KDM4E (0.66) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL7116850 0.86 KDM4E (0.62) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL5110227 0.86 ALDH1A1 (0.58) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL7125137 0.85 CYP19A1 (0.57) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL27076576 0.85 ALDH1A1 (0.56) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL7462068 0.84 ESR1 (0.60) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL18170286 0.84 ESR1 (0.52) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL7116288 0.82 ESR2 (0.81) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL7122333 0.82 NPC1 (0.68) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL7125098 0.81 ESR1 (0.55) ALDH1A1KDM4EGAAHSD17B10MAPT

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