SCHEMBL8563574

SCHEMBL8563574

COc1cc(C2(c3cc(OC)c(OC)c(OC)c3)CCCO2)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
PTGS2 P35354 1/20 0.40
ACHE P22303 2/20 0.39
PTAFR P25105 2/20 0.39
CYP3A4 P08684 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPN1 P18031 1/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36

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
SCHEMBL9421184 0.79 PTAFR (0.55) PTAFRHTR2A
SCHEMBL7212713 0.74 ACHE (0.45) MAPTPTGS2ACHEPTAFRCYP3A4
SCHEMBL9719037 0.72 MAPT (0.54) MAPTPTGS2ACHEPTAFRCYP3A4
SCHEMBL8813907 0.70 L3MBTL1 (0.37) MAPTCYP3A4KDM4EALDH1A1MEN1
SCHEMBL9721261 0.70 LMNA (0.41) MAPTACHEPTAFRCYP3A4CA9
SCHEMBL28893222 0.68 MAPT (0.54) MAPTPTGS2ACHEPTAFRCYP3A4
SCHEMBL9337958 0.67 MAPT (0.40) MAPTACHEPTAFRCYP3A4CA9
SCHEMBL9337972 0.66 MAPT (0.41) MAPTPTGS2ACHEPTAFRCYP3A4
SCHEMBL8567406 0.66 MAPT (0.44) MAPTPTGS2ACHEPTAFRCYP3A4
SCHEMBL557840 0.66 MAPT (0.48) MAPTPTGS2HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770064-A4 COMPOUNDS AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR, INFLAMMATORY AND IMMUNE DISORDERS CYTOMED INC (US) 1998-01-14 EP disclosed
EP-0770064-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR, INFLAMMATORY AND IMMUNE DISORDERS CYTOMED, INC. (US) 1997-05-02 EP disclosed
WO-1996000212-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR, INFLAMMATORY AND IMMUNE DISORDERS CYTOMED, INC. (US) 1996-01-04 WO disclosed
WO-1994006790-A1 2,4-DIARYL-1,3-DITHIOLANES; 2,4-DIARYL-1,3-DIOXOLANES; 2,4-DIARYL-1,3-OXATHIOLANES; AND 2,5-DIARYL-1,3-OXATHIOLANES AS PAF RECEPTOR ANTGONISTS AND INHIBITORS OF 5-LIPOXYGENASE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1994-03-31 WO disclosed
EP-0199324-B1 NEW 2,5-DIARYL TETRYHYDROFURANS AND ANALOGS THEREOF AS PAF ANTAGONISTS MERCK & CO. INC. (US) 1991-10-02 EP disclosed
EP-0322033-A2 New 2,5-diaryl tetrahydrofurans and analogs thereof as paf antagonists MERCK & CO. INC. (US) 1989-06-28 EP disclosed