SCHEMBL4008731

SCHEMBL4008731

C=CCOc1c(-c2ccc(OC)c(OC)c2)oc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.60
MAPT P10636 4/20 0.55
KDM4E B2RXH2 4/20 0.55
MEN1 O00255 4/20 0.55
ALDH1A1 P00352 4/20 0.55
CYP3A4 P08684 4/20 0.55
KMT2A Q03164 4/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TP53 P04637 2/20 0.55
CASP1 P29466 2/20 0.55
CASP7 P55210 2/20 0.55
LMNA P02545 1/20 0.55
ABCB1 P08183 4/20 0.49
MAPK1 P28482 2/20 0.49
GLA P06280 1/20 0.49
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA1 P00915 3/20 0.48
CA12 O43570 2/20 0.48

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
SCHEMBL1421461 0.74 ABCG2 (0.87) ABCG2MAPTKDM4EMEN1ALDH1A1
SCHEMBL16470197 0.71 CA12 (0.54) MAPTALDH1A1CYP3A4HPGDHSD17B10
3-Hydroxy-3',4'-Dimethoxyflavone SCHEMBL4285872 0.71 KDM4E (1.00) ABCG2MAPTKDM4EMEN1ALDH1A1
3-Hydroxy-3',4'-Dimethoxyflavone SCHEMBL30139617 0.71 KDM4E (1.00) ABCG2MAPTKDM4EMEN1ALDH1A1
3-Hydroxy-3',4'-Dimethoxyflavone SCHEMBL15676607 0.71 KDM4E (1.00) ABCG2MAPTKDM4EMEN1ALDH1A1
SCHEMBL10469365 0.69 IMPDH2 (0.49) MAPTKDM4EMEN1ALDH1A1CYP3A4
SCHEMBL8309264 0.69 ABCG2 (0.67) ABCG2MAPTKDM4EMEN1ALDH1A1
SCHEMBL31723152 0.68 MEN1 (0.72) ABCG2MAPTKDM4EMEN1ALDH1A1
SCHEMBL28425332 0.68 MEN1 (0.72) ABCG2MAPTKDM4EMEN1ALDH1A1
SCHEMBL3008129 0.68 CYP2C8 (0.54) ABCG2MAPTKDM4EMEN1ALDH1A1

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-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