SCHEMBL11578296

SCHEMBL11578296

CC(C)(C)c1cc(CCCc2ccccc2)cc(C(C)(C)C)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
ALDH1A1 P00352 5/20 0.49
LMNA P02545 3/20 0.49
TSHR P16473 3/20 0.49
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 2/20 0.47
BLM P54132 2/20 0.47
ATM Q13315 2/20 0.47
HIF1A Q16665 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALOX15 P16050 2/20 0.47
GMNN O75496 1/20 0.47
GABBR2 O75899 1/20 0.47
TP53 P04637 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL9855739 0.93 GAA (0.57) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL283499 0.89 ALDH1A1 (0.59) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL8751536 0.85 ALDH1A1 (0.59) GAAKMT2AMEN1ALDH1A1LMNA
Phenol SCHEMBL10771847 0.83 GAA (0.49) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL30233542 0.83 GAA (0.46) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL18193748 0.83 ALDH1A1 (0.57) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL3762751 0.83 ALDH1A1 (0.57) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL18193749 0.83 ALDH1A1 (0.57) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL8751545 0.83 ALDH1A1 (0.57) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL8751548 0.83 ALDH1A1 (0.57) GAAKMT2AMEN1ALDH1A1LMNA

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 4 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 claimed
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 claimed
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