SCHEMBL8054033

SCHEMBL8054033

CCCCCOC(C)CCC/C=C/c1ncc(-c2ccc(-c3ccc(O)cc3F)cc2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.35
ALOX5AP P20292 4/20 0.34
FEN1 P39748 4/20 0.34
USP7 Q93009 2/20 0.34
ESR1 P03372 5/20 0.33
APP P05067 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR2 P34972 3/20 0.32
ALDH1A1 P00352 1/20 0.31
CNR1 P21554 1/20 0.31
ESR2 Q92731 1/20 0.31
PRKACA P17612 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
PRKX P51817 1/20 0.31
PRKCQ Q04759 1/20 0.31
ROCK1 Q13464 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31

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
SCHEMBL8054037 1.00 RARB (0.35) RARBALOX5APFEN1USP7ESR1
SCHEMBL8036347 0.95 ALOX5AP (0.34) RARBALOX5APFEN1USP7ESR1
SCHEMBL8036348 0.95 ALOX5AP (0.34) RARBALOX5APFEN1USP7ESR1
SCHEMBL8046991 0.92 RARB (0.34) RARBALOX5APFEN1USP7ESR1
SCHEMBL8046995 0.92 RARB (0.34) RARBALOX5APFEN1USP7ESR1
SCHEMBL8051904 0.91 USP7 (0.35) RARBALOX5APFEN1USP7ESR1
SCHEMBL8051899 0.91 USP7 (0.35) RARBALOX5APFEN1USP7ESR1
SCHEMBL8036888 0.90 ABCG2 (0.34) RARBALOX5APFEN1USP7
SCHEMBL8036891 0.90 ABCG2 (0.34) RARBALOX5APFEN1USP7
SCHEMBL8051463 0.90 RARB (0.38) RARBESR1APPCYP3A4CYP2C9

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
EP-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed