SCHEMBL10429428

SCHEMBL10429428

COc1cc(OC(C)=O)c2c(=O)c(OC)c(-c3ccc(OC(C)=O)c(OC)c3)oc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.77
ABCB1 P08183 5/20 0.77
KDM4E B2RXH2 4/20 0.77
CYP3A4 P08684 4/20 0.77
ABCC1 P33527 3/20 0.77
MEN1 O00255 3/20 0.77
MAPK1 P28482 3/20 0.77
KMT2A Q03164 3/20 0.77
ALDH1A1 P00352 2/20 0.77
TDP1 Q9NUW8 1/20 0.77
HSD17B10 Q99714 2/20 0.69
CYP2C9 P11712 1/20 0.69
ADORA3 P0DMS8 5/20 0.66
SLC22A2 O15244 1/20 0.66
SLC22A1 O15245 1/20 0.66
MAPT P10636 2/20 0.62
CASP1 P29466 2/20 0.62
CASP7 P55210 2/20 0.62
LMNA P02545 1/20 0.62
TP53 P04637 1/20 0.62

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
SCHEMBL10534553 0.92 ABCG2 (0.84) ABCG2ABCB1KDM4ECYP3A4ABCC1
SCHEMBL23278846 0.91 ADORA3 (0.72) ABCG2ABCB1KDM4ECYP3A4ABCC1
SCHEMBL1208084 0.90 ABCG2 (0.79) ABCG2ABCB1KDM4ECYP3A4ABCC1
SCHEMBL11098925 0.89 ABCG2 (0.72) ABCG2ABCB1KDM4ECYP3A4ABCC1
Pentamethylquercetin SCHEMBL16292202 0.88 KDM4E (0.77) ABCG2ABCB1KDM4ECYP3A4ABCC1
Pentamethylquercetin SCHEMBL30168919 0.87 ABCG2 (1.00) ABCG2ABCB1KDM4ECYP3A4ABCC1
Pentamethylquercetin SCHEMBL2286327 0.87 ABCG2 (1.00) ABCG2ABCB1KDM4ECYP3A4ABCC1
Pentamethylquercetin SCHEMBL29725289 0.87 ABCG2 (1.00) ABCG2ABCB1KDM4ECYP3A4ABCC1
Pentamethylquercetin SCHEMBL30168918 0.87 ABCG2 (1.00) ABCG2ABCB1KDM4ECYP3A4ABCC1
SCHEMBL23483932 0.87 ADORA3 (0.69) ABCG2ABCB1KDM4ECYP3A4ABCC1

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
US-4352792-A 3-Alkoxyflavone antiviral agents HOFFMANN-LA ROCHE INC. (US) 1982-10-05 US claimed
EP-0019081-A1 Flavone derivatives, their preparation, these novel and known flavones as antiviral agents, and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-11-26 EP claimed
US-4956351-A INCLUSION COMPLEXESOFVIRICIDES; RHINITIS; SUSTAINED RELEASE; NONIRRITATING TO MUCOUS MEMBRANE JANSSEN PHARMACEUTICA N.V. FRAME-543 (BE) 1990-09-11 US disclosed
EP-0300526-A2 Antiviral pharmaceutical compositions containing cyclodextrins JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-25 EP disclosed
EP-0019081-B1 FLAVONE DERIVATIVES, THEIR PREPARATION, THESE NOVEL AND KNOWN FLAVONES AS ANTIVIRAL AGENTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-10-24 EP disclosed
US-4352792-A 3-Alkoxyflavone antiviral agents HOFFMANN-LA ROCHE INC. (US) 1982-10-05 US disclosed
EP-0019081-A1 Flavone derivatives, their preparation, these novel and known flavones as antiviral agents, and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-11-26 EP disclosed