SCHEMBL8768706

SCHEMBL8768706

CC(Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.49
CA1 P00915 2/20 0.49
ALOX15 P16050 2/20 0.41
HPN P05981 1/20 0.41
MAPT P10636 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TYR P14679 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 1/20 0.40
PTGS1 P23219 2/20 0.38
ESR1 P03372 1/20 0.38
PDCD1 Q15116 1/20 0.38
ESR2 Q92731 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
NR1I2 O75469 1/20 0.38
CYP2C9 P11712 1/20 0.38
MIF P14174 1/20 0.38

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
SCHEMBL8768071 0.79 CA2 (0.44) CA2CA1ALOX15HPNMAPT
SCHEMBL8767332 0.79 CA2 (0.44) CA2CA1ALOX15HPNMAPT
SCHEMBL8767862 0.77 CA2 (0.45) CA2CA1ALOX15HPNMAPT
SCHEMBL9008246 0.76 ESR1 (0.59) CA2CA1ALOX15HPNMAPT
Hydroquinone SCHEMBL7796131 0.75 CA2 (0.84) CA2CA1ALOX15HPNMAPT
SCHEMBL27980861 0.72 ALOX5 (0.50) POLBESR1PDCD1ESR2CD274
SCHEMBL8768683 0.71 ESR1 (0.61) CA2CA1ALOX15MAPTALDH1A1
SCHEMBL8768745 0.71 ALOX15 (0.49) CA2CA1ALOX15HPNMAPT
SCHEMBL11739043 0.70 CA2 (0.52) CA2CA1ALOX15HPNMAPT
SCHEMBL15065052 0.69 CA2 (0.50) CA2CA1ALOX15HPNMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0621255-B1 Substituted phenoxy-isobutyric acids and esters ADIR (FR) 1997-08-20 EP claimed
EP-0621255-A1 Substituted phenoxy-isobutyric acids and esters ADIR ET COMPAGNIE (FR) 1994-10-26 EP claimed
EP-2930199-B1 SUNLIGHT CURABLE COATING COMPOSITIONS DYMAX CORP (US) 2020-10-07 EP disclosed
EP-2930199-A1 SUNLIGHT CURABLE COATING COMPOSITIONS DYMAX CORPORATION (US) 2015-10-14 EP disclosed
US-20150284589-A1 SUNLIGHT CURABLE COATING COMPOSITIONS DYMAX CORPORATION (US) 2015-10-08 US disclosed
EP-0621255-B1 Substituted phenoxy-isobutyric acids and esters ADIR (FR) 1997-08-20 EP disclosed
EP-0621255-A1 Substituted phenoxy-isobutyric acids and esters ADIR ET COMPAGNIE (FR) 1994-10-26 EP disclosed