SCHEMBL8050778

SCHEMBL8050778

CCOCOc1c(C)c(C)c2c(c1C)CCC(C)(C=O)O2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.43
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4A P27815 1/20 0.33
PDE3A Q14432 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
GSTO1 P78417 1/20 0.33
TTPA P49638 2/20 0.32

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
SCHEMBL1285802 0.87 PSEN1 (0.42) PSEN1MEN1KMT2APTGS1PTGS2
SCHEMBL13108840 0.82 PSEN1 (0.60) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL21344344 0.80 PTGS1 (0.38) PSEN1MEN1KMT2APTGS1PTGS2
SCHEMBL19910935 0.78 PTGS1 (0.43) PSEN1MEN1KMT2APTGS1PTGS2
SCHEMBL2143228 0.77 PSEN1 (0.43) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL2141185 0.77 PSEN1 (0.43) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL19899579 0.76 MEN1 (0.42) PSEN1MEN1KMT2APTGS1PTGS2
SCHEMBL11358821 0.75 MEN1 (0.52) PSEN1MEN1KMT2APTGS1PTGS2
SCHEMBL19899581 0.75 PTGS1 (0.44) PSEN1MEN1KMT2APTGS1PTGS2
SCHEMBL11358826 0.75 MEN1 (0.52) PSEN1MEN1KMT2APTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763527-B1 Substituted 2,2-dimethyl-omega-phenoxy alkanoic acids and esters, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-04-26 EP disclosed
US-5734077-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS, TREATMENT OF DIABETES AND ATHEROSCLEROSIS ADIR ET COMPAGNIE (FR) 1998-03-31 US disclosed
US-5627205-A ANTILIPEMIC AGENTS AND ANTIOXIDANTS ADIR ET COMPAGNIE (FR) 1997-05-06 US disclosed
EP-0763527-A1 Substituted 2,2-dimethyl-omega-phenoxy alkanoic acids and esters, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-03-19 EP disclosed
US-5512595-A FOR SUPPRESSION OF MEMBRANE LIPID PEROXIDATION, ANTILIPEMIC AGENTS ADIR ET COMPAGNIE (FR) 1996-04-30 US disclosed