SCHEMBL8768484

SCHEMBL8768484

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALOX15 P16050 2/20 0.44
HPN P05981 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 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
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38
HIF1A Q16665 1/20 0.38
CA2 P00918 2/20 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
SCHEMBL8768745 0.79 ALOX15 (0.49) MAPTALOX15HPNSIRT5ALDH1A1
SCHEMBL8768787 0.76 GABBR2 (0.42) MAPTALOX15HPNSIRT5GABBR2
SCHEMBL8767303 0.75 ALOX15 (0.45) MAPTALOX15HPNSIRT5GABBR2
SCHEMBL8650553 0.72 GABBR2 (0.45) MAPTALOX15HPNSIRT5GABBR2
SCHEMBL8900721 0.72 MAPT (0.47) MAPTALOX15HPNSIRT5GABBR2
SCHEMBL8768071 0.71 CA2 (0.44) MAPTALOX15HPNSIRT5GABBR2
SCHEMBL10503818 0.70 ALOX15 (0.63) MAPTALOX15HPNSIRT5GABBR2
SCHEMBL10698130 0.70 ALOX15 (0.63) MAPTALOX15HPNSIRT5GABBR2
SCHEMBL8698598 0.70 PTGS1 (0.49) MAPTALOX15HPNSIRT5ALDH1A1
SCHEMBL10708262 0.70 MAPT (0.57) MAPTALOX15HPNSIRT5ALDH1A1

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