SCHEMBL4008320

SCHEMBL4008320

COc1cc(-c2cc3cc(C(C=O)N4CCC(Cc5ccccc5)CC4)ccc3o2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
CSNK2A2 P19784 3/20 0.40
CSNK2B P67870 3/20 0.40
CSNK2A1 P68400 3/20 0.40
PTGES O14684 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
RAB9A P51151 2/20 0.40
ALOX5 P09917 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4004650 0.93 USP2 (0.44) LMNAALDH1A1MEN1KMT2AAPP
SCHEMBL4002683 0.84 ACHE (0.44) HPGDMAPK1ALDH1A1CSNK2A2CSNK2B
SCHEMBL3998431 0.82 LMNA (0.40) LMNAHPGDMAPK1ALDH1A1GAA
SCHEMBL3010953 0.80 ALDH1A1 (0.53) LMNAHPGDMAPK1ALDH1A1GAA
SCHEMBL4001544 0.79 ALDH1A1 (0.48) ALDH1A1KMT2ATSHRACHE
SCHEMBL3997189 0.76 MAPT (0.46) LMNAHPGDMAPK1ALDH1A1CYP3A4
SCHEMBL4002003 0.76 CYP2C8 (0.46) HPGDMAPK1ALDH1A1CYP3A4RAB9A
SCHEMBL4004759 0.76 CYP2C8 (0.45) HPGDMAPK1ALDH1A1CYP3A4RAB9A
SCHEMBL3017788 0.73 HTT (0.57) LMNAALDH1A1RAB9AMEN1MAPT
SCHEMBL4000385 0.70 ALDH1A1 (0.40) LMNAHPGDMAPK1ALDH1A1GAA

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