SCHEMBL9244771

SCHEMBL9244771

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.51
ESR1 P03372 13/20 0.42
ESR2 Q92731 12/20 0.42
CYP3A4 P08684 4/20 0.37
LMNA P02545 2/20 0.37
AR P10275 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
TYR P14679 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR6 P50406 1/20 0.37
ESRRG P62508 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL6157069 0.86 SHBG (0.50) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL1201797 0.85 SHBG (0.69) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL6060401 0.83 SHBG (0.72) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL18139 0.83 SHBG (0.53) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL9220135 0.79 SHBG (0.40) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL8625814 0.78 SHBG (0.39) SHBGESR1ESR2CYP3A4CYP2C9
SCHEMBL5174803 0.76 SHBG (0.38) SHBGESR1ESR2
SCHEMBL5140991 0.76 SHBG (0.45) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL2143217 0.74 ESR1 (0.47) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL29113544 0.72 SHBG (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5407966-A Recyclable thermoplastic foam with a high glass transition temperature II BAYER AKTIENGESELLSCHAFT (DE) 1995-04-18 US disclosed