SCHEMBL4000459

SCHEMBL4000459

COc1cc(-c2oc3ccc(C(C(C)=O)N4CCCCC4)cc3c2SC)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 5/20 0.39
CYP3A4 P08684 4/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CASP1 P29466 3/20 0.39
CASP7 P55210 3/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
ALOX15 P16050 1/20 0.39
CSNK2A2 P19784 8/20 0.37
CSNK2B P67870 8/20 0.37
CSNK2A1 P68400 8/20 0.37
ESR2 Q92731 1/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL4002432 0.93 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AKDM4ECYP3A4
SCHEMBL4003849 0.86 ACHE (0.41) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4000385 0.85 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHPGDMAPK1
SCHEMBL3001432 0.84 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AKDM4ECYP3A4
SCHEMBL4001686 0.81 MAPT (0.42) ALDH1A1MEN1KMT2AKDM4ECYP3A4
SCHEMBL3011377 0.80 MEN1 (0.43) ALDH1A1MEN1KMT2AKDM4ECYP3A4
SCHEMBL4002259 0.79 MEN1 (0.43) ALDH1A1MEN1KMT2AKDM4ECYP3A4
SCHEMBL4007345 0.78 MEN1 (0.38) ALDH1A1MEN1KMT2AKDM4ECYP3A4
SCHEMBL3006035 0.78 CSNK2A2 (0.43) ALDH1A1MEN1KMT2AKDM4ECYP3A4
SCHEMBL4003027 0.78 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AKDM4ECYP3A4

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