SCHEMBL16589596

SCHEMBL16589596

Cc1cc(C)c2c(c1)CC[C@@](C)(CCC=O)O2

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.53
PPARG P37231 4/20 0.52
PPARA Q07869 3/20 0.52
NR1I2 O75469 2/20 0.52
AKT1 P31749 1/20 0.48
LMNA P02545 1/20 0.45
PTGES O14684 1/20 0.44

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
SCHEMBL16589604 0.85 ALOX5 (0.50) ALOX5PPARGPPARANR1I2AKT1
SCHEMBL16589770 0.81 ALOX5 (0.66) ALOX5PPARGPPARANR1I2PTGES
SCHEMBL16583041 0.79 PPARA (0.51) ALOX5PPARGPPARANR1I2AKT1
SCHEMBL16583042 0.79 PPARA (0.51) ALOX5PPARGPPARANR1I2AKT1
SCHEMBL4677441 0.79 AKT1 (0.65) ALOX5PPARGPPARANR1I2AKT1
SCHEMBL16589603 0.78 ALOX5 (0.68) ALOX5PPARGPPARANR1I2PTGES
SCHEMBL16589602 0.78 PPARG (0.67) ALOX5PPARGPPARANR1I2PTGES
SCHEMBL15044752 0.77 ALOX5 (0.46) ALOX5PPARGPPARANR1I2AKT1
SCHEMBL16589598 0.74 ALOX5 (0.54) ALOX5PPARGPPARANR1I2PTGES
SCHEMBL25080512 0.74 LMNA (0.79) ALOX5NR1I2AKT1LMNA

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
US-9309547-B2 Methods for making tocoflexols and analogues thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2016-04-12 US disclosed
US-20150087033-A1 METHODS FOR MAKING TOCOFLEXOLS AND ANALOGUES THEREOF BIOVENTURES, LLC 2015-03-26 US disclosed