SCHEMBL4000457

SCHEMBL4000457

COc1ccc(-c2oc3ccc(C(C=O)N4C[C@@H](C)O[C@@H](C)C4)cc3c2SC)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.37
ABCG2 Q9UNQ0 5/20 0.37
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
CYP3A4 P08684 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
LMNA P02545 2/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL4007071 0.92 MEN1 (0.37) ABCG2KDM4EALDH1A1MAPTMEN1
SCHEMBL4001884 0.88 ABCB1 (0.37) ABCB1ABCG2KDM4EALDH1A1MAPT
SCHEMBL3996885 0.87 ABCB1 (0.39) ABCB1ABCG2KDM4EALDH1A1MAPT
SCHEMBL4003027 0.86 ALDH1A1 (0.40) ABCB1ABCG2KDM4EALDH1A1MAPT
SCHEMBL4004837 0.82 ABCG2 (0.39) ABCB1ABCG2KDM4EALDH1A1MAPT
SCHEMBL4002142 0.80 KMT2A (0.44) ABCG2ALDH1A1MEN1KMT2ATSHR
SCHEMBL4007345 0.78 MEN1 (0.38) ABCG2KDM4EALDH1A1MAPTMEN1
SCHEMBL3007512 0.75 ALDH1A1 (0.49) KDM4EALDH1A1MAPTMEN1CYP3A4
SCHEMBL3998431 0.74 LMNA (0.40) ALDH1A1MEN1CYP3A4KMT2AHPGD
SCHEMBL2997489 0.73 ALDH1A1 (0.45) ABCB1ABCG2KDM4EALDH1A1MAPT

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