SCHEMBL8047965

SCHEMBL8047965

CCCCCOC(C)CCCC=Cc1ccc(-c2ncc(-c3ccc(O)cc3)cn2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.34
RARB P10826 1/20 0.33
MAOB P27338 6/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
APP P05067 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
USP7 Q93009 2/20 0.31
ALDH2 P05091 1/20 0.30
NR5A1 Q13285 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL8047959 1.00 ABCG2 (0.34) ABCG2RARBMAOBALOX5APFEN1
SCHEMBL8036891 0.95 ABCG2 (0.34) ABCG2RARBMAOBALOX5APFEN1
SCHEMBL8036888 0.95 ABCG2 (0.34) ABCG2RARBMAOBALOX5APFEN1
SCHEMBL8049225 0.94 FEN1 (0.35) ABCG2RARBMAOBALOX5APFEN1
SCHEMBL8049222 0.94 FEN1 (0.35) ABCG2RARBMAOBALOX5APFEN1
SCHEMBL8048641 0.92 ABCG2 (0.33) ABCG2RARBMAOBAPP
SCHEMBL8048645 0.92 ABCG2 (0.33) ABCG2RARBMAOBAPP
SCHEMBL8047804 0.91 APP (0.38) ABCG2RARBMAOBAPPCYP3A4
SCHEMBL8047807 0.91 APP (0.38) ABCG2RARBMAOBAPPCYP3A4
SCHEMBL8047638 0.91 FEN1 (0.33) ABCG2RARBMAOBALOX5APFEN1

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