SCHEMBL8039151

SCHEMBL8039151

CCOc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCCc1cccc(OCCCC(C)(C)C(=O)O)c1)O2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.42
ALOX5 P09917 3/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4A P27815 1/20 0.38
PDE3A Q14432 1/20 0.38
GSTO1 P78417 2/20 0.38
PTPN1 P18031 1/20 0.38
PPARA Q07869 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
SCHEMBL8617484 0.91 ALOX5 (0.47) ALOX5MEN1KMT2A
SCHEMBL8616733 0.77 ALOX5 (0.51) ALOX5MEN1KMT2APPARA
SCHEMBL8925726 0.74 PSEN1 (0.44) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL8925722 0.74 PSEN1 (0.44) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL8049826 0.71 PSEN1 (0.41) PSEN1PPARA
SCHEMBL13084640 0.68 PSEN1 (0.55) PSEN1ALOX5MEN1KMT2APDE4A
SCHEMBL8767480 0.68 ALOX5 (0.51) ALOX5MEN1KMT2APPARA
SCHEMBL8767474 0.68 ALOX5 (0.51) ALOX5MEN1KMT2APPARA
SCHEMBL11705307 0.67 PSEN1 (0.47) PSEN1ALOX5MEN1KMT2APDE4A
SCHEMBL9467277 0.67 ALOX5 (0.60) ALOX5MEN1KMT2A

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 2 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
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