SCHEMBL9053399

SCHEMBL9053399

CC(C)(C1=CC=CC(O)(Br)C1c1ccc(O)cc1)C1=CC=CC(O)(Br)C1c1ccc(O)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.32
ESR1 P03372 2/20 0.32
CYP3A4 P08684 1/20 0.32
AR P10275 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR6 P50406 1/20 0.32
ESRRG P62508 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL31481577 0.53 ESR2 (0.48) ESR2ESR1CYP3A4HPGDHSD17B10
Bisphenol A SCHEMBL30496271 0.53 ESR1 (0.89) ESR2ESR1CYP3A4ARHPGD
SCHEMBL11734922 0.53 ESR2 (0.41) ESR2ESR1CYP3A4HPGDHSD17B10
Bisphenol A SCHEMBL278218 0.52 ESR1 (1.00) ESR2ESR1CYP3A4ARHPGD
SCHEMBL15868669 0.52 ESR1 (1.00) ESR2ESR1CYP3A4ARHPGD
SCHEMBL677795 0.52 ESR1 (0.68) ESR2ESR1CYP3A4ARHPGD
Bisphenol A SCHEMBL31267162 0.52 ESR1 (1.00) ESR2ESR1CYP3A4ARHPGD
Bisphenol A SCHEMBL3170263 0.52 ESR1 (1.00) ESR2ESR1CYP3A4ARHPGD
Bisphenol A SCHEMBL9774987 0.52 ESR1 (1.00) ESR2ESR1CYP3A4ARHPGD
Bisphenol A SCHEMBL8058731 0.52 ESR1 (1.00) ESR2ESR1CYP3A4ARHPGD

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-5514767-A Hot-melt polycondensation method for manufacturing a polycarbonate composition GENERAL ELECTRIC COMPANY (US) 1996-05-07 US disclosed