SCHEMBL4005251

SCHEMBL4005251

COc1ccc(-c2cc3cc(OC(C)=O)ccc3o2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 4/20 0.55
FLT3 P36888 1/20 0.54
CYP2C8 P10632 1/20 0.53
ABCB1 P08183 1/20 0.52
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 3/20 0.51
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PDE4A P27815 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CYP3A4 P08684 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
ALOX12 P18054 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51

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
SCHEMBL17667825 0.79 CYP2C8 (0.55) GAPDHCYP2C8KDM4EHSD17B10MAPK1
SCHEMBL3002012 0.78 CYP2C8 (0.54) GAPDHCYP2C8KDM4EHSD17B10MAPK1
SCHEMBL4001110 0.78 KDM4E (0.45) GAPDHCYP2C8KDM4EHSD17B10MAPK1
SCHEMBL3013409 0.78 KDM4E (0.44) GAPDHCYP2C8KDM4EHSD17B10MAPK1
SCHEMBL17667824 0.78 FFAR1 (0.60) CYP2C8KDM4EHSD17B10MAPK1CYP3A4
SCHEMBL3008501 0.78 CYP2C8 (0.59) CYP2C8ABCB1CA12CA9KDM4E
SCHEMBL3006301 0.77 CYP2C8 (0.58) CYP2C8KDM4EHSD17B10MAPK1CYP3A4
SCHEMBL3007487 0.77 CYP2C8 (0.64) CYP2C8KDM4EHSD17B10MAPK1ALDH1A1
SCHEMBL4002247 0.76 APP (0.61) CYP2C8ABCB1KDM4EHSD17B10MAPK1
SCHEMBL153056 0.76 CA12 (0.59) CA12CA9KDM4EMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069321-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF Digital Biotech Co., Ltd. (KR) 2009-06-17 EP claimed
WO-2008041826-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DIGITAL BIOTECH CO., LTD (KR) 2008-04-10 WO claimed
EP-2069321-B1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF MEDIFRON DBT CO LTD (KR) 2016-04-13 EP disclosed
EP-2069321-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF Digital Biotech Co., Ltd. (KR) 2009-06-17 EP disclosed
WO-2008041826-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DIGITAL BIOTECH CO., LTD (KR) 2008-04-10 WO disclosed