SCHEMBL7117244

SCHEMBL7117244

COc1ccc(-c2[c]c3ccc(OC)cc3o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.46
EGFR P00533 1/20 0.45
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 5/20 0.44
HSD17B10 Q99714 5/20 0.44
CYP3A4 P08684 5/20 0.44
TP53 P04637 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
THRB P10828 2/20 0.44
RAB9A P51151 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CA1 P00915 2/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL27842852 0.89 CA1 (0.47) MAOBEGFRALDH1A1KDM4EHPGD
SCHEMBL5887186 0.83 NPC1 (0.44) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29873464 0.67 APP (0.64) MAOBEGFRALDH1A1KDM4EHPGD
SCHEMBL6748778 0.67 APP (0.64) MAOBEGFRALDH1A1KDM4EHPGD
SCHEMBL961967 0.67 KDM4E (0.56) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14833013 0.66 APP (0.82) MAOBEGFRALDH1A1KDM4EHPGD
SCHEMBL29873198 0.66 APP (0.82) MAOBEGFRALDH1A1KDM4EHPGD
SCHEMBL11027233 0.65 CA1 (0.48) ALDH1A1KDM4EHSD17B10CYP3A4MAPT
SCHEMBL324222 0.65 KDM4E (0.42) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7735652 0.64 HSD17B1 (0.49) KDM4ECYP3A4NPC1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0774966-B1 BENZOFURAN COMPOUNDS, COMPOSITIONS, AND METHODS LILLY CO ELI (US) 2003-11-05 EP disclosed
EP-0774966-A4 BENZOFURAN COMPOUNDS, COMPOSITIONS, AND METHODS LILLY CO ELI (US) 1998-01-07 EP disclosed
EP-0766559-A4 CANNABINOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-08-06 EP disclosed
EP-0774966-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS, AND METHODS ELI LILLY AND COMPANY (US) 1997-05-28 EP disclosed
EP-0766559-A1 CANNABINOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-04-09 EP disclosed
WO-1996009040-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS, AND METHODS ELI LILLY AND COMPANY (US) 1996-03-28 WO disclosed
WO-1996002248-A1 CANNABINOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-02-01 WO disclosed