SCHEMBL4760757

SCHEMBL4760757

CC1CC(C)(C)CC(c2cc(Cl)c(O)c(Cl)c2)(c2cc(Cl)c(O)c(Cl)c2)C1.CC1CC(C)(C)CC(c2ccc(O)c(-c3ccccc3)c2)(c2ccc(O)c(-c3ccccc3)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.48
ESR1 P03372 1/20 0.48
ALDH1A1 P00352 1/20 0.36
CCR2 P41597 5/20 0.34
BACE1 P56817 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL30060373 0.91 ESR1 (0.57) ESR2ESR1ALDH1A1CCR2BACE1
SCHEMBL297639 0.91 ESR1 (0.57) ESR2ESR1ALDH1A1CCR2BACE1
SCHEMBL297426 0.90 ESR1 (0.50) ESR2ESR1ALDH1A1CCR2BACE1
SCHEMBL298691 0.84 ESR2 (0.56) ESR2ESR1ALDH1A1CCR2BACE1
SCHEMBL7653011 0.83 ESR1 (0.48) ESR2ESR1ALDH1A1CCR2BACE1
SCHEMBL298455 0.82 ESR1 (0.59) ESR2ESR1ALDH1A1CCR2THRB
SCHEMBL296770 0.81 ESR1 (0.63) ESR2ESR1CCR2
SCHEMBL296665 0.78 ESR1 (0.50) ESR2ESR1ALDH1A1CCR2BACE1
SCHEMBL299026 0.75 ESR1 (0.54) ESR2ESR1CCR2MAOA
SCHEMBL4425531 0.75 ESR1 (0.55) ESR2ESR1CCR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270646-B1 RESIN COMPOSITION AND ARTICLES MOLDED THEREFROM TORAY INDUSTRIES (JP) 2008-11-26 EP disclosed
EP-1554333-A1 METHOD AND APPARATUS TO MAKE HIGH MOLECULAR WEIGHT MELT POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2005-07-20 EP disclosed
US-6750313-B2 HIGH REFRACTIVE INDEX AND LOW DISPERSION CHARACTERISTICS; OPTICAL LENSES, FILMS, DISCS; POLYCARBONATE RESIN CONTAINING A PHOSPHONIC ACID GROUP TORAY INDUSTRIES, INC. (JP) 2004-06-15 US disclosed
WO-2004033531-A1 METHOD AND APPARATUS TO MAKE HIGH MOLECULAR WEIGHT MELT POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2004-04-22 WO disclosed
EP-1270646-A1 RESIN COMPOSITION AND ARTICLES MOLDED THEREFROM TORAY INDUSTRIES, INC. (JP) 2003-01-02 EP disclosed