SCHEMBL2847599

SCHEMBL2847599

COC(=O)Cc1ccc(C=O)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.58
ALDH1A1 P00352 2/20 0.58
GFER P55789 1/20 0.58
TYR P14679 2/20 0.51
TRIM24 O15164 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
HSP90AB1 P08238 1/20 0.50
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
HPGD P15428 3/20 0.43
TSHR P16473 3/20 0.43
MAPT P10636 2/20 0.43
NFKB1 P19838 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
YWHAG P61981 1/20 0.43
PKM P14618 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL1303666 0.87 ALDH1A1 (0.62) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL18232223 0.87 ALDH1A1 (0.53) GAAALDH1A1GFERTYRTRIM24
SCHEMBL31166995 0.84 YWHAG (0.48) GAAALDH1A1GFERTYRTRIM24
SCHEMBL24410146 0.83 ALDH1A1 (0.49) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL3453165 0.83 ALDH1A1 (0.53) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL31260444 0.83 ALDH1A1 (0.51) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL29446278 0.81 GAA (0.72) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL3668882 0.81 GAA (0.72) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL25383923 0.80 GAA (0.63) GAAALDH1A1TYRTRIM24TRIM33
Methyl Alcohol SCHEMBL27946196 0.80 GAA (0.70) GAAALDH1A1GFERHSP90AB1CYP4F2

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
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed