SCHEMBL11538806

SCHEMBL11538806

CC(C)(C)CC(C)(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.68
ESR1 P03372 15/20 0.54
ESR2 Q92731 13/20 0.54
CYP3A4 P08684 3/20 0.54
LMNA P02545 1/20 0.54
TYR P14679 1/20 0.54
AR P10275 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
HTR6 P50406 1/20 0.54
ESRRG P62508 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3967698 0.90 SHBG (0.60) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL11722844 0.84 SHBG (0.72) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL18380935 0.82 SHBG (0.52) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL10141 0.81 SHBG (1.00) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL31282065 0.81 SHBG (1.00) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL730689 0.80 ESR1 (0.67) SHBGESR1ESR2CYP3A4LMNA
Hydrogen Sulfide SCHEMBL10824257 0.79 SHBG (0.95) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL10785821 0.79 SHBG (0.95) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL22773183 0.79 SHBG (0.95) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL10456523 0.79 ESR1 (0.69) SHBGESR1ESR2CYP3A4LMNA

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-4133799-A Benzofuranylphenol stabilizers THE B. F. GOODRICH COMPANY (US) 1979-01-09 US disclosed
US-4054551-A Benzofuranylphenol stabilizers THE B. F. GOODRICH COMPANY (US) 1977-10-18 US disclosed