SCHEMBL8767862

SCHEMBL8767862

CC(SOc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.45
CA1 P00915 2/20 0.45
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 3/20 0.37
TYR P14679 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
MIF P14174 1/20 0.35
HTT P42858 1/20 0.35
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL8768745 0.77 ALOX15 (0.49) CA2CA1ALOX15HPNMAPT
SCHEMBL8768706 0.77 CA2 (0.49) CA2CA1ALOX15HPNMAPT
SCHEMBL9008246 0.73 ESR1 (0.59) CA2CA1ALOX15HPNMAPT
Hydroquinone SCHEMBL7796131 0.72 CA2 (0.84) CA2CA1ALOX15HPNMAPT
SCHEMBL8768071 0.70 CA2 (0.44) CA2CA1ALOX15HPNMAPT
SCHEMBL8767332 0.70 CA2 (0.44) CA2CA1ALOX15HPNMAPT
SCHEMBL8768683 0.68 ESR1 (0.61) CA2CA1ALOX15MAPTALDH1A1
SCHEMBL5827516 0.67 CA2 (0.52) CA2CA1ALOX15HPNMAPT
Butylated Hydroxytoluene SCHEMBL9619750 0.66 CA2 (0.82) CA2CA1ALOX15HPNMAPT
SCHEMBL15397241 0.66 PTGS1 (0.50) CA2CA1ALOX15MAPTALDH1A1

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-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