SCHEMBL11580296

SCHEMBL11580296

CC(C)(C)c1cc(O)c(C(=O)CCc2ccccc2)c(C(=O)CCc2ccccc2)c1C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 8/20 0.58
SLC5A2 P31639 8/20 0.58
GAA P10253 2/20 0.58
MAPT P10636 2/20 0.58
CBS P35520 1/20 0.47
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP19A1 P11511 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SLC16A3 O15427 1/20 0.46
LMNA P02545 1/20 0.46
TTR P02766 1/20 0.46
ESR1 P03372 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL11579935 0.89 SLC5A1 (0.58) SLC5A1SLC5A2GAAMAPTCBS
SCHEMBL11579755 0.89 SLC5A1 (0.55) SLC5A1SLC5A2GAAMAPTCBS
SCHEMBL11579321 0.82 SLC5A1 (0.60) SLC5A1SLC5A2GAAMAPTCBS
SCHEMBL11578969 0.82 SLC5A1 (0.55) SLC5A1SLC5A2GAAMAPTCBS
SCHEMBL11577540 0.82 SLC5A1 (0.49) SLC5A1SLC5A2GAAMAPTCBS
SCHEMBL11577301 0.80 SLC5A1 (0.53) SLC5A1SLC5A2GAAMAPTCBS
SCHEMBL11579883 0.80 GAA (0.50) SLC5A1SLC5A2GAAMAPTCBS
SCHEMBL11578303 0.79 GAA (0.49) SLC5A1SLC5A2GAAMAPTCBS
SCHEMBL11577147 0.79 GAA (0.51) SLC5A1SLC5A2GAAMAPTCBS
SCHEMBL11576518 0.79 SLC5A1 (0.54) SLC5A1SLC5A2GAAMAPTCBS

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