SCHEMBL8934586

SCHEMBL8934586

COc1ccc2oc(-c3ccc(C(=O)O)cc3)cc(=O)c2c1.COc1cccc2oc(-c3ccc(C(=O)O)cc3)cc(=O)c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.63
ABCG2 Q9UNQ0 2/20 0.63
KDM4E B2RXH2 6/20 0.62
ALDH1A1 P00352 6/20 0.62
TP53 P04637 5/20 0.62
CYP3A4 P08684 5/20 0.62
MAPT P10636 5/20 0.62
HPGD P15428 4/20 0.62
HSD17B10 Q99714 4/20 0.62
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
LMNA P02545 2/20 0.62
THRB P10828 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
RXFP1 Q9HBX9 1/20 0.62
AR P10275 3/20 0.61
MEN1 O00255 4/20 0.60

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
SCHEMBL8934588 0.91 KDM4E (0.61) ABCB1ABCG2KDM4EALDH1A1TP53
SCHEMBL8934603 0.89 MAPT (0.78) ABCB1ABCG2KDM4EALDH1A1TP53
SCHEMBL8934487 0.89 ALDH1A1 (0.76) ABCB1ABCG2KDM4EALDH1A1TP53
SCHEMBL3825575 0.82 AR (0.80) ABCB1ABCG2KDM4EALDH1A1TP53
SCHEMBL10632007 0.79 KDM4E (0.72) ABCB1ABCG2KDM4EALDH1A1TP53
SCHEMBL25204150 0.79 KDM4E (0.73) ABCB1KDM4EALDH1A1TP53CYP3A4
6-Methoxyflavone SCHEMBL312059 0.78 ABCB1 (1.00) ABCB1ABCG2KDM4EALDH1A1TP53
6-Methoxyflavone SCHEMBL28930176 0.78 ABCB1 (1.00) ABCB1ABCG2KDM4EALDH1A1TP53
6-Methoxyflavone SCHEMBL30799564 0.78 ABCB1 (1.00) ABCB1ABCG2KDM4EALDH1A1TP53
6,4'-Dimethoxyflavone SCHEMBL4281291 0.78 MAPT (1.00) ABCB1ABCG2KDM4EALDH1A1TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 WO disclosed