SCHEMBL8051124

SCHEMBL8051124

CCCCCOC(C)CCCC=Cc1ccc(-c2ccc(O)cc2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.38
ESR1 P03372 5/20 0.36
TNNC1 P63316 1/20 0.36
MAOB P27338 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
APP P05067 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ABCB1 P08183 1/20 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
SCHEMBL8051119 1.00 RARB (0.38) RARBESR1TNNC1MAOBABCG2
SCHEMBL8051463 0.99 RARB (0.38) RARBESR1TNNC1MAOBABCG2
SCHEMBL8051462 0.99 RARB (0.38) RARBESR1TNNC1MAOBABCG2
SCHEMBL8047916 0.94 APP (0.37) RARBESR1TNNC1MAOBABCG2
SCHEMBL8047914 0.94 APP (0.37) RARBESR1TNNC1MAOBABCG2
SCHEMBL8048391 0.94 APP (0.37) RARBESR1TNNC1MAOBABCG2
SCHEMBL8048388 0.94 APP (0.37) RARBESR1TNNC1MAOBABCG2
SCHEMBL8053854 0.94 RARB (0.38) RARBESR1TNNC1MAOBABCG2
SCHEMBL8053851 0.94 RARB (0.38) RARBESR1TNNC1MAOBABCG2
SCHEMBL8047807 0.93 APP (0.38) RARBESR1TNNC1MAOBABCG2

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