SCHEMBL4002003

SCHEMBL4002003

COc1ccc(-c2cc3cc(C(C=O)N4CCCC4)ccc3o2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.42
FYN P06241 1/20 0.41
ABCB1 P08183 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 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
SCHEMBL4004759 0.99 CYP2C8 (0.45) CYP2C8ABCG2FYNABCB1ALDH1A1
SCHEMBL3997189 0.88 MAPT (0.46) CYP2C8ABCG2ABCB1ALDH1A1MEN1
SCHEMBL4001544 0.85 ALDH1A1 (0.48) CYP2C8ALDH1A1KMT2AACHETSHR
SCHEMBL4004650 0.84 USP2 (0.44) CYP2C8ABCG2ABCB1ALDH1A1MEN1
SCHEMBL4002683 0.80 ACHE (0.44) FYNALDH1A1MEN1KMT2AHPGD
SCHEMBL3996885 0.77 ABCB1 (0.39) ABCG2FYNABCB1ALDH1A1MEN1
SCHEMBL4003027 0.77 ALDH1A1 (0.40) ABCG2FYNABCB1ALDH1A1MEN1
SCHEMBL4008320 0.76 LMNA (0.42) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL17667819 0.75 CYP2C8 (0.55) CYP2C8ABCG2FYNABCB1ALDH1A1
SCHEMBL4008661 0.71 MAPT (0.49) CYP2C8ABCG2ABCB1ALDH1A1MEN1

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