SCHEMBL11577301

SCHEMBL11577301

CC(C)(C)c1c(O)c(C(C)(C)C)c(C(C)(C)C)c(C(=O)CCc2ccccc2)c1C(=O)CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 2/20 0.53
SLC5A2 P31639 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
ALDH1A1 P00352 1/20 0.46
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
KEAP1 Q14145 1/20 0.44
KCNA3 P22001 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ACHE P22303 1/20 0.43
SGMS1 Q86VZ5 1/20 0.43
SGMS2 Q8NHU3 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 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
SCHEMBL11577147 0.93 GAA (0.51) SLC5A1SLC5A2GAAMAPTALDH1A1
SCHEMBL11576685 0.91 GAA (0.53) SLC5A1SLC5A2GAAMAPTALDH1A1
SCHEMBL11578030 0.90 GAA (0.51) SLC5A1SLC5A2GAAMAPTALDH1A1
SCHEMBL11576518 0.89 SLC5A1 (0.54) SLC5A1SLC5A2GAAMAPTALDH1A1
SCHEMBL11579321 0.81 SLC5A1 (0.60) SLC5A1SLC5A2GAAMAPTALDH1A1
SCHEMBL11578303 0.81 GAA (0.49) SLC5A1SLC5A2GAAMAPTALDH1A1
SCHEMBL11580296 0.80 SLC5A1 (0.58) SLC5A1SLC5A2GAAMAPTALDH1A1
SCHEMBL11579755 0.80 SLC5A1 (0.55) SLC5A1SLC5A2GAAMAPTALDH1A1
SCHEMBL11577353 0.80 SLC5A1 (0.55) SLC5A1SLC5A2GAAMAPTALDH1A1
SCHEMBL11579883 0.79 GAA (0.50) SLC5A1SLC5A2GAAMAPTALDH1A1

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
US-4082814-A DI-TERT-BUTYL-CINNAMYL PHENOLS, DI-TERT-BUTYL-DIHYDROCINNAMYL PHENONLS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1978-04-04 US disclosed
US-3973040-A Certain cinnamyl phenols as growth inhibitors for mosquito larvae THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1976-08-03 US disclosed