SCHEMBL8768071

SCHEMBL8768071

CC(C)(C)c1cc(OC(C=O)c2ccc(O)cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
ALDH1A1 P00352 6/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 2/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX15 P16050 2/20 0.37
HPN P05981 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
SCHEMBL8767412 0.81 LTA4H (0.31)
SCHEMBL8768706 0.79 CA2 (0.49) CA2CA1ALDH1A1MAPTMEN1
SCHEMBL8768787 0.76 GABBR2 (0.42) CA2CA1GABBR2GABBR1ALDH1A1
SCHEMBL8767332 0.74 CA2 (0.44) CA2CA1GABBR2GABBR1ALDH1A1
SCHEMBL8768484 0.71 MAPT (0.44) CA2CA1GABBR2GABBR1ALDH1A1
Hydroquinone SCHEMBL7796131 0.71 CA2 (0.84) CA2CA1ALDH1A1MAPTMEN1
SCHEMBL4175772 0.71 MAPK1 (0.39) CYP1A2MAPK1NPSR1POLBCYP2C9
SCHEMBL8767862 0.70 CA2 (0.45) CA2CA1ALDH1A1MAPTCYP1A2
SCHEMBL9008246 0.68 ESR1 (0.59) CA2CA1ALDH1A1MAPTMEN1
SCHEMBL15685940 0.68 CA2 (0.59) CA2CA1GABBR2GABBR1ALDH1A1

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