SCHEMBL4145508

SCHEMBL4145508

COc1cc(-c2oc3ccc(C(C)C(=O)O)cc3c2SC)ccc1OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
CYP3A4 P08684 3/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
AKR1C3 P42330 4/20 0.39
AKR1C2 P52895 4/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
GRK6 P43250 1/20 0.38
ABCB1 P08183 2/20 0.38
TSHR P16473 1/20 0.38
ABCG2 Q9UNQ0 3/20 0.38

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
SCHEMBL2997489 0.93 ALDH1A1 (0.45) KDM4EALDH1A1MEN1CYP3A4KMT2A
SCHEMBL3007395 0.91 KDM4E (0.40) KDM4EALDH1A1MEN1CYP3A4KMT2A
SCHEMBL3011377 0.87 MEN1 (0.43) KDM4EALDH1A1MEN1CYP3A4KMT2A
SCHEMBL3015073 0.82 GRK6 (0.43) KDM4EALDH1A1MEN1CYP3A4KMT2A
SCHEMBL3999470 0.81 ABCB1 (0.53) KDM4EALDH1A1MEN1CYP3A4KMT2A
SCHEMBL17667811 0.80 GRK6 (0.41) KDM4EALDH1A1MEN1CYP3A4KMT2A
SCHEMBL2997487 0.79 KDM4E (0.41) KDM4EALDH1A1MEN1CYP3A4KMT2A
SCHEMBL4002259 0.78 MEN1 (0.43) KDM4EALDH1A1MEN1CYP3A4KMT2A
SCHEMBL4000436 0.78 MEN1 (0.41) KDM4EALDH1A1MEN1CYP3A4KMT2A
SCHEMBL2997490 0.77 LTA4H (0.40) KDM4EALDH1A1MEN1CYP3A4KMT2A

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-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 claimed
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-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