SCHEMBL8305040

SCHEMBL8305040

CC=CO.COc1ccc(-c2cc(=O)c3c(O)cc(OCc4ccccc4)cc3o2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.73
ABCB1 P08183 2/20 0.73
MAOB P27338 2/20 0.65
CYP19A1 P11511 1/20 0.65
NPC1 O15118 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
TSHR P16473 1/20 0.64
ABCG2 Q9UNQ0 1/20 0.64
FLT3 P36888 2/20 0.63
IP6K2 Q9UHH9 2/20 0.63
CYP1A1 P04798 2/20 0.63
CYP1A2 P05177 2/20 0.63
MEN1 O00255 1/20 0.63
USP2 O75604 1/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
CYP2D6 P10635 1/20 0.63

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
SCHEMBL8429597 0.87 XDH (0.70) MAPTABCB1MAOBCYP19A1NPC1
Acacetin SCHEMBL8309340 0.85 CYP1B1 (0.86) MAPTABCB1MAOBCYP19A1NPC1
SCHEMBL5792042 0.85 MAPT (0.91) MAPTABCB1MAOBCYP19A1NPC1
SCHEMBL974548 0.85 MAPT (1.00) MAPTABCB1MAOBCYP19A1NPC1
SCHEMBL30376285 0.85 MAPT (1.00) MAPTABCB1MAOBCYP19A1NPC1
SCHEMBL8308052 0.85 MAOB (0.67) MAPTABCB1MAOBCYP19A1NPC1
SCHEMBL14048682 0.85 MAPT (0.78) MAPTABCB1MAOBCYP19A1NPC1
SCHEMBL7306849 0.83 MAPT (0.74) MAPTABCB1MAOBCYP19A1NPC1
SCHEMBL8429204 0.82 MAOB (0.62) MAPTMAOBCYP19A1NPC1CYP3A4
SCHEMBL18656304 0.81 MAOB (0.67) MAPTABCB1MAOBCYP19A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709383-B1 Diosmetin derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-12-15 EP disclosed
EP-0709383-A1 Diosmetin derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-05-01 EP disclosed