SCHEMBL6690691

SCHEMBL6690691

CCOc1ccc2c(C)c(-c3ccc(OC)cc3)c(=O)oc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.75
KDM4E B2RXH2 7/20 0.75
NPC1 O15118 3/20 0.75
RAB9A P51151 3/20 0.75
MAPT P10636 3/20 0.75
SMN1; SMN2 Q16637 3/20 0.75
LMNA P02545 2/20 0.75
POLB P06746 1/20 0.75
HTT P42858 1/20 0.75
HPGD P15428 5/20 0.63
GAA P10253 2/20 0.63
KMT2A Q03164 2/20 0.60
STAT1 P42224 1/20 0.60
CCR4 P51679 1/20 0.54
HSD17B10 Q99714 2/20 0.53
MAOB P27338 5/20 0.53
ACHE P22303 3/20 0.53
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
HIF1A Q16665 1/20 0.50

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
SCHEMBL7123957 0.90 NPC1 (0.80) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL7115073 0.85 ALDH1A1 (0.56) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL6632377 0.82 NPC1 (0.70) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL26743702 0.82 HPGD (0.78) ALDH1A1KDM4ERAB9AHPGDGAA
SCHEMBL27076573 0.82 NPC1 (0.69) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL7157591 0.82 NPC1 (0.69) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL14307629 0.82 NPC1 (0.73) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL7115028 0.82 NPC1 (0.69) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL5427914 0.82 NPC1 (1.00) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL14160786 0.82 ALDH1A1 (0.75) ALDH1A1KDM4ENPC1RAB9AMAPT

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 7 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
WO-2004091488-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-10-28 WO disclosed
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