SCHEMBL8048388

SCHEMBL8048388

CCCCCOC(C)CCC/C=C/c1ccc(-c2ccc(-c3ccc(O)cc3)cc2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RARB P10826 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
TNNC1 P63316 1/20 0.35
MAOB P27338 2/20 0.34
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ESR1 P03372 3/20 0.33

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
SCHEMBL8047916 1.00 APP (0.37) APPCYP3A4CYP2C9CYP2C19RARB
SCHEMBL8047914 1.00 APP (0.37) APPCYP3A4CYP2C9CYP2C19RARB
SCHEMBL8048391 1.00 APP (0.37) APPCYP3A4CYP2C9CYP2C19RARB
SCHEMBL8047807 0.95 APP (0.38) APPCYP3A4CYP2C9CYP2C19RARB
SCHEMBL8047804 0.95 APP (0.38) APPCYP3A4CYP2C9CYP2C19RARB
SCHEMBL8051463 0.95 RARB (0.38) APPCYP3A4CYP2C9CYP2C19RARB
SCHEMBL8051462 0.95 RARB (0.38) APPCYP3A4CYP2C9CYP2C19RARB
SCHEMBL8051124 0.94 RARB (0.38) APPCYP3A4CYP2C9CYP2C19RARB
SCHEMBL8051119 0.94 RARB (0.38) APPCYP3A4CYP2C9CYP2C19RARB
SCHEMBL8053851 0.94 RARB (0.38) APPCYP3A4CYP2C9CYP2C19RARB

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