SCHEMBL7116289

SCHEMBL7116289

COc1ccc(-c2cc(=O)c3c(ccc4ccccc43)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 7/20 1.00
▸ CYP1A1 P04798 3/20 0.72
▸ CYP1A2 P05177 3/20 0.72
▸ PAX8 Q06710 2/20 0.72
▸ AHR P35869 2/20 0.72
▸ FYN P06241 1/20 0.72
▸ MAPK3 P27361 1/20 0.72
▸ NPC1 O15118 4/20 0.70
▸ RAB9A P51151 3/20 0.70
▸ TDP1 Q9NUW8 3/20 0.70
▸ KDM4E B2RXH2 3/20 0.69
▸ ALDH1A1 P00352 3/20 0.69
▸ MAPT P10636 3/20 0.69
▸ HPGD P15428 3/20 0.69
▸ SMN1; SMN2 Q16637 3/20 0.69
▸ LMNA P02545 2/20 0.69
▸ TP53 P04637 2/20 0.69
▸ CYP3A4 P08684 2/20 0.69
▸ THRB P10828 2/20 0.69
▸ HSD17B10 Q99714 2/20 0.69

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
SCHEMBL15397111 0.85 AHR (0.78) ABCG2CYP1A1CYP1A2PAX8AHR
Beta-Naphthoflavone SCHEMBL43538 0.84 ABCG2 (1.00) ABCG2CYP1A1CYP1A2PAX8AHR
Beta-Naphthoflavone SCHEMBL29881204 0.84 ABCG2 (1.00) ABCG2CYP1A1CYP1A2PAX8AHR
Beta-Naphthoflavone SCHEMBL29357406 0.84 ABCG2 (1.00) ABCG2CYP1A1CYP1A2PAX8AHR
SCHEMBL1740996 0.83 ABCG2 (0.71) ABCG2CYP1A1CYP1A2NPC1RAB9A
SCHEMBL13066020 0.82 TDP1 (1.00) ABCG2CYP1A1CYP1A2PAX8AHR
4'-Methoxyflavone SCHEMBL29573796 0.82 MAOB (1.00) ABCG2NPC1RAB9AKDM4EALDH1A1
4'-Methoxyflavone SCHEMBL311931 0.82 MAOB (1.00) ABCG2NPC1RAB9AKDM4EALDH1A1
SCHEMBL25109125 0.82 AHR (0.72) ABCG2CYP1A1CYP1A2PAX8AHR
SCHEMBL22525848 0.82 AHR (0.72) ABCG2CYP1A1CYP1A2PAX8AHR

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
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