SCHEMBL8768787

SCHEMBL8768787

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.42
GABBR1 Q9UBS5 2/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 2/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
ATM Q13315 1/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA2 P00918 4/20 0.41
CA1 P00915 2/20 0.41
TYR P14679 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL17083602 0.78 ESR1 (0.46) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL9008246 0.76 ESR1 (0.59) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL8768484 0.76 MAPT (0.44) GABBR2GABBR1ALDH1A1MEN1KMT2A
SCHEMBL8768071 0.76 CA2 (0.44) GABBR2GABBR1ALDH1A1MEN1KMT2A
SCHEMBL7034261 0.74 GABBR2 (0.49) GABBR2GABBR1ALDH1A1MEN1KMT2A
SCHEMBL26999415 0.73 ACHE (0.54) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL5486067 0.73 GABBR2 (0.47) GABBR2GABBR1ALDH1A1MEN1KMT2A
SCHEMBL29678617 0.72 CA2 (0.50) GABBR2GABBR1ALDH1A1MEN1KMT2A
SCHEMBL4367473 0.71 IDO1 (0.47) ALDH1A1KMT2AMAPTCYP2D6CA2
SCHEMBL9504993 0.70 LCK (0.42) MEN1KMT2AMAPTCYP3A4TSHR

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