SCHEMBL7123957

SCHEMBL7123957

COc1ccc(-c2c(C)c3ccc(OC)cc3oc2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.80
ALDH1A1 P00352 9/20 0.73
KDM4E B2RXH2 8/20 0.73
MAPT P10636 4/20 0.73
RAB9A P51151 3/20 0.73
POLB P06746 2/20 0.73
LMNA P02545 2/20 0.73
HTT P42858 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
HPGD P15428 3/20 0.65
HSD17B10 Q99714 3/20 0.65
GAA P10253 1/20 0.65
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
STAT1 P42224 2/20 0.59
MAOB P27338 4/20 0.58
KMT2A Q03164 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56

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
SCHEMBL27076573 0.92 NPC1 (0.69) NPC1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL7115028 0.92 NPC1 (0.69) NPC1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL7157591 0.92 NPC1 (0.69) NPC1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL7122333 0.92 NPC1 (0.68) NPC1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL6690691 0.90 ALDH1A1 (0.75) NPC1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL6632377 0.90 NPC1 (0.70) NPC1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL4805077 0.89 NPC1 (0.65) NPC1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL14307629 0.89 NPC1 (0.73) NPC1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL5427914 0.89 NPC1 (1.00) NPC1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL14307628 0.88 KDM4E (0.73) NPC1ALDH1A1KDM4EMAPTRAB9A

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
US-7329654-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-12 US 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