SCHEMBL9575290

SCHEMBL9575290

CCOC(=O)C(=O)NCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.61
KMT2A Q03164 3/20 0.53
NR5A2 O00482 1/20 0.45
NR5A1 Q13285 1/20 0.45
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.41
HMGCR P04035 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GSR P00390 2/20 0.40
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.40
SCN2A Q99250 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL11507342 0.87 GAA (0.72) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL10360929 0.83 GAA (0.70) GAAKMT2ANR5A2NR5A1HTT
SCHEMBL9575245 0.81 GAA (0.64) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL28834940 0.81 GAA (0.67) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL22540664 0.78 GAA (0.51) GAAKMT2APKMHTTMEN1
SCHEMBL9575255 0.77 GAA (0.59) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL11506250 0.77 GAA (0.54) GAAKMT2ANR5A2NR5A1HTT
SCHEMBL11557692 0.77 GAA (0.52) GAAKMT2APKMHTTMEN1
SCHEMBL24140175 0.77 GAA (0.50) GAAKMT2APKMHTTMEN1
SCHEMBL8944855 0.76 ALDH1A1 (0.57) GAAPKMHTTHMGCRTDP1

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-0303280-B1 PHENOLIC ANTIOXIDANT HYDRAZIDES ATOCHEM NORTH AMERICA, INC. (US) 1993-03-24 EP disclosed
EP-0303280-A2 Phenolic antioxidant hydrazides ATOCHEM NORTH AMERICA, INC. (US) 1989-02-15 EP disclosed