SCHEMBL8048633

SCHEMBL8048633

CCCCCOC(C)CCC/C=C/c1ccc2nc(O)ncc2c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
LTB4R Q15722 1/20 0.32
APP P05067 4/20 0.32
ALDH1A1 P00352 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TNNC1 P63316 1/20 0.31
ABCG2 Q9UNQ0 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
SCHEMBL8048639 1.00 PPARG (0.33) PPARGPPARALTB4RAPPALDH1A1
SCHEMBL8048801 0.92 PPARG (0.33) PPARGPPARATNNC1ABCG2
SCHEMBL8048795 0.92 PPARG (0.33) PPARGPPARATNNC1ABCG2
SCHEMBL8051684 0.90 ALOX5AP (0.32)
SCHEMBL8051688 0.90 ALOX5AP (0.32)
SCHEMBL8051032 0.86 LTB4R (0.35) PPARGPPARALTB4RAPPALDH1A1
SCHEMBL8051028 0.86 LTB4R (0.35) PPARGPPARALTB4RAPPALDH1A1
SCHEMBL8047030 0.85 PPARG (0.32) PPARGPPARA
SCHEMBL8047027 0.85 PPARG (0.32) PPARGPPARA
SCHEMBL8046791 0.85 LTB4R (0.33) LTB4RAPPALDH1A1CNR1CNR2

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