SCHEMBL8767303

SCHEMBL8767303

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.45
MAPT P10636 2/20 0.45
HPN P05981 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
VCAM1 P19320 5/20 0.40
CA2 P00918 4/20 0.38
CA1 P00915 2/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 3/20 0.37
CYP2C9 P11712 2/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
GMNN O75496 1/20 0.37
GABBR2 O75899 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 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
SCHEMBL8768745 0.80 ALOX15 (0.49) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL8768484 0.75 MAPT (0.44) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL10506394 0.74 TSHR (0.44) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL10698130 0.71 ALOX15 (0.63) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL10503818 0.71 ALOX15 (0.63) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL8698598 0.71 PTGS1 (0.49) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL10708262 0.71 MAPT (0.57) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL646923 0.70 ALOX15 (0.61) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL9504462 0.70 ALOX15 (0.61) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL9008246 0.69 ESR1 (0.59) ALOX15MAPTHPNSIRT5CA2

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