SCHEMBL4004650

SCHEMBL4004650

COc1ccc(-c2cc3cc(C(C=O)N4CCC(Cc5ccccc5)CC4)ccc3o2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
CYP2C8 P10632 1/20 0.42
ABCB1 P08183 1/20 0.42
ACHE P22303 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
APP P05067 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL4008320 0.93 LMNA (0.42) USP2ALDH1A1LMNATSHRHTT
SCHEMBL4001544 0.86 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C8ACHEKMT2A
SCHEMBL4002003 0.84 CYP2C8 (0.46) ALDH1A1TSHRCYP2C8ABCB1ACHE
SCHEMBL3997189 0.84 MAPT (0.46) ALDH1A1LMNATSHRCYP2C8ABCB1
SCHEMBL4004759 0.83 CYP2C8 (0.45) ALDH1A1TSHRCYP2C8ABCB1ACHE
SCHEMBL3017788 0.78 HTT (0.57) USP2ALDH1A1LMNATSHRHTT
SCHEMBL4002683 0.76 ACHE (0.44) ALDH1A1ACHEMEN1KMT2A
SCHEMBL3998431 0.75 LMNA (0.40) USP2ALDH1A1LMNATSHRHTT
SCHEMBL3010953 0.72 ALDH1A1 (0.53) USP2ALDH1A1LMNATSHRHTT
SCHEMBL4008661 0.69 MAPT (0.49) ALDH1A1LMNATSHRCYP2C8ABCB1

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 4 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-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