SCHEMBL6668074

SCHEMBL6668074

COc1ccc(-c2ccc3cc(OC)ccc3c2-c2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.54
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPK1 P28482 1/20 0.48
NOD2 Q9HC29 1/20 0.48
P2RY14 Q15391 1/20 0.47
ALOX5 P09917 3/20 0.47
PPARD Q03181 3/20 0.46
PPARA Q07869 2/20 0.46
GSTP1 P09211 2/20 0.46
FFAR1 O14842 2/20 0.45
F9 P00740 1/20 0.45
F10 P00742 1/20 0.45
DYRK1B Q9Y463 2/20 0.45
BCHE P06276 2/20 0.45
DYRK1A Q13627 1/20 0.45

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
SCHEMBL6087375 0.84 NPSR1 (0.58) MAOBMAPTNPSR1MAPK1NOD2
SCHEMBL225278 0.82 MAOB (0.61) MAOBMAPTNPSR1MAPK1NOD2
SCHEMBL6086702 0.81 MGAM (0.56) MAOBMAPTNPSR1MAPK1NOD2
SCHEMBL5268433 0.80 MAOB (0.49) MAOBP2RY14ALOX5FFAR1DYRK1B
SCHEMBL6667573 0.80 HSD17B1 (0.52) MAPK1NOD2
SCHEMBL9405631 0.79 MAOB (0.71) MAOBPPARDGSTP1FFAR1F9
SCHEMBL6672286 0.77 BACE1 (0.53) BCHE
SCHEMBL4966110 0.77 MGAM (0.53) MAOBMAPTNPSR1MAPK1NOD2
SCHEMBL7096339 0.77 L3MBTL1 (0.57) MAOBNPSR1F9F10DYRK1B
SCHEMBL6671006 0.77 MTNR1A (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0838459-B1 Naphthyl compounds, compositions, and methods LILLY CO ELI (US) 2004-09-22 EP disclosed
US-5952350-A INHIBITING BONE LOSS OR BONE RESORPTION, PARTICULARLY OSTEOPOROSIS, AND CARDIOVASCULAR DISORDERS INCLUDING HYPERLIPIDEMIA, AND ESTROGEN DEPENDENT CANCER ELI LILLY AND COMPANY (US) 1999-09-14 US disclosed
EP-0838459-A1 Naphthyl compounds, compositions, and methods ELI LILLY AND COMPANY (US) 1998-04-29 EP disclosed