SCHEMBL8934603

SCHEMBL8934603

COc1ccc2oc(-c3ccc(C(=O)O)cc3)cc(=O)c2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.78
TP53 P04637 6/20 0.78
KDM4E B2RXH2 5/20 0.78
ALDH1A1 P00352 5/20 0.78
CYP3A4 P08684 4/20 0.78
HPGD P15428 4/20 0.78
NPC1 O15118 4/20 0.78
RAB9A P51151 4/20 0.78
HSD17B10 Q99714 3/20 0.78
SMN1; SMN2 Q16637 3/20 0.78
NFKB1 P19838 2/20 0.78
NFKB2 Q00653 2/20 0.78
RELA Q04206 2/20 0.78
LMNA P02545 2/20 0.78
THRB P10828 2/20 0.78
RXFP1 Q9HBX9 2/20 0.78
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
CYP2D6 P10635 2/20 0.74
CYP2C9 P11712 2/20 0.74

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
SCHEMBL8934586 0.89 ABCB1 (0.63) MAPTTP53KDM4EALDH1A1CYP3A4
6,4'-Dimethoxyflavone SCHEMBL29478471 0.88 MAPT (1.00) MAPTTP53KDM4EALDH1A1CYP3A4
6,4'-Dimethoxyflavone SCHEMBL4281291 0.88 MAPT (1.00) MAPTTP53KDM4EALDH1A1CYP3A4
SCHEMBL31675778 0.85 MAPT (1.00) MAPTTP53KDM4EALDH1A1CYP3A4
SCHEMBL4650062 0.85 MAPT (1.00) MAPTTP53KDM4EALDH1A1CYP3A4
6-Methoxyflavone SCHEMBL30799564 0.85 ABCB1 (1.00) MAPTTP53KDM4EALDH1A1CYP3A4
6-Methoxyflavone SCHEMBL28930176 0.85 ABCB1 (1.00) MAPTTP53KDM4EALDH1A1CYP3A4
6-Methoxyflavone SCHEMBL312059 0.85 ABCB1 (1.00) MAPTTP53KDM4EALDH1A1CYP3A4
SCHEMBL21417969 0.85 MAPT (0.78) MAPTTP53KDM4EALDH1A1CYP3A4
SCHEMBL10632007 0.84 KDM4E (0.72) MAPTTP53KDM4EALDH1A1CYP3A4

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 claimed