SCHEMBL8048641

SCHEMBL8048641

CCCCCOC(C)CCC/C=C/c1ccc(-c2ncc(O)cn2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.33
RARB P10826 1/20 0.32
MAOB P27338 4/20 0.32
CNR2 P34972 3/20 0.31
APP P05067 4/20 0.31
ALDH1A1 P00352 1/20 0.30
CNR1 P21554 1/20 0.30
TNNC1 P63316 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
SCHEMBL8048645 1.00 ABCG2 (0.33) ABCG2RARBMAOBCNR2APP
SCHEMBL8037169 0.94 RARB (0.36) ABCG2RARBMAOBCNR2
SCHEMBL8037165 0.94 RARB (0.36) ABCG2RARBMAOBCNR2
SCHEMBL8047959 0.92 ABCG2 (0.34) ABCG2RARBMAOBAPP
SCHEMBL8047965 0.92 ABCG2 (0.34) ABCG2RARBMAOBAPP
SCHEMBL8048608 0.91 ABCG2 (0.33) ABCG2RARBCNR2ALDH1A1CNR1
SCHEMBL8048611 0.91 ABCG2 (0.33) ABCG2RARBCNR2ALDH1A1CNR1
SCHEMBL8049222 0.89 FEN1 (0.35) ABCG2RARBMAOB
SCHEMBL8049225 0.89 FEN1 (0.35) ABCG2RARBMAOB
SCHEMBL8045740 0.89 ABCG2 (0.32) ABCG2CNR2APP

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