SCHEMBL4145032

SCHEMBL4145032

CCC(C(N)=O)c1ccc2oc(-c3ccc(OC)c(OC)c3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.51
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
MAOA P21397 3/20 0.46
FYN P06241 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.44
MAOB P27338 2/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
PDE4A P27815 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
ABCB1 P08183 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL4007475 0.83 CSNK2A2 (0.46) CYP2C8KDM4EALDH1A1MAPTMAPK1
SCHEMBL4000431 0.81 CSNK2A2 (0.48) KDM4EALDH1A1MAPTMAOAMAPK1
SCHEMBL30990182 0.80 ACHE (0.54) ALDH1A1MAPK1PDE4ACYP3A4
SCHEMBL17667819 0.80 CYP2C8 (0.55) CYP2C8KDM4EALDH1A1MAPTMAOA
SCHEMBL4001855 0.76 CYP2C8 (0.51) CYP2C8KDM4EALDH1A1MAPTMAOA
SCHEMBL3007487 0.74 CYP2C8 (0.64) CYP2C8KDM4EALDH1A1MAPTMAOA
SCHEMBL4145033 0.74 CYP2C8 (0.73) CYP2C8MAOAFYNABCG2MAOB
SCHEMBL3007179 0.74 CYP2C8 (0.52) CYP2C8KDM4EALDH1A1MAPTFYN
SCHEMBL4002247 0.74 APP (0.61) CYP2C8KDM4EALDH1A1MAPTMAOA
SCHEMBL4008817 0.74 CYP2C8 (0.57) CYP2C8KDM4EALDH1A1MAPTMAOA

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 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