SCHEMBL7123290

SCHEMBL7123290

CCOc1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.74
RAB9A P51151 7/20 0.74
RXFP1 Q9HBX9 2/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
MIF P14174 1/20 0.68
SIRT3 Q9NTG7 1/20 0.68
ERAP1 Q9NZ08 1/20 0.68
MAOB P27338 4/20 0.68
GLA P06280 3/20 0.64
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64
GAA P10253 2/20 0.64
HPGD P15428 2/20 0.64
HSD17B10 Q99714 2/20 0.64
POLB P06746 2/20 0.64
TP53 P04637 1/20 0.64
CASP1 P29466 1/20 0.64
CASP7 P55210 1/20 0.64
TDP1 Q9NUW8 1/20 0.64

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
SCHEMBL7116819 0.89 NPC1 (0.83) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL7114353 0.88 MIF (0.60) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL18535597 0.87 MAOB (0.62) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL23713498 0.85 RAB9A (0.56) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL24046282 0.85 MAOB (0.69) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL6686431 0.84 MAOB (0.59) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL20428199 0.84 NPC1 (0.81) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL23713540 0.83 NPC1 (0.54) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL6939176 0.83 NPC1 (0.65) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL10453916 0.82 MAOB (0.80) NPC1RAB9ARXFP1MEN1KMT2A

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