SCHEMBL7026529

SCHEMBL7026529

CC(C)(C)OC(=O)CCC(O)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AOC3 Q16853 1/20 0.41
APP P05067 1/20 0.40
RIPK1 Q13546 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL8770937 0.84 AOC3 (0.42) AOC3ALDH1A1MAPTHTT
SCHEMBL28022209 0.84 RIPK1 (0.57) RIPK1
SCHEMBL639305 0.83 MAPT (0.49) MEN1KMT2AAOC3ALDH1A1MAPT
SCHEMBL639304 0.83 MAPT (0.49) MEN1KMT2AAOC3ALDH1A1MAPT
SCHEMBL7020446 0.81 APP (0.38) APPALDH1A1MAPTHTT
SCHEMBL5350831 0.78 MEN1 (0.47) MEN1KMT2A
SCHEMBL25496751 0.77 GAA (0.55) MEN1KMT2A
SCHEMBL18921432 0.76 CTSS (0.40) MEN1KMT2AAOC3
SCHEMBL22623869 0.75 RIPK1 (0.67) MEN1KMT2AAOC3RIPK1
SCHEMBL21358345 0.75 FOLH1 (0.46) AOC3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770064-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR, INFLAMMATORY AND IMMUNE DISORDERS MILLENIUM PHARMACEUTICALS INC (US) 2003-11-05 EP disclosed
US-6201016-B1 IMMUNOSUPPRESSANT AS 5-LIPOXYGENASE INHIBITOR AND/OR AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONIST CYTOMED INCORPORATED 2001-03-13 US disclosed
US-5792776-A HYDROXAMIC SUBSTITUTED TETRAHYDROTHIPOHENES, TETRAHYDROFURANS, PYRROLIDINES AND CYCLOPENTANES CYTOMED, INC., (US) 1998-08-11 US disclosed
US-5780503-A Compounds and methods for the treatment of cardiovascular, inflammatory and immune disorders CYTOMED, INC. (US) 1998-07-14 US disclosed
EP-0770064-A4 COMPOUNDS AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR, INFLAMMATORY AND IMMUNE DISORDERS CYTOMED INC (US) 1998-01-14 EP disclosed
US-5681966-A ENANTIOMERICALLY ENRICHED DISUBSTITUTED TETRAHYDROFURANS, TETRAHYDROTHIOPHENES ACT AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS OR 5-LIPOXYGENASE INHIBITORS CYTOMED, INC. (US) 1997-10-28 US 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