SCHEMBL8046609

SCHEMBL8046609

CCCCCOC(C)CCCC=Cc1ccc(-c2ncc(-c3ccc(O)cc3F)cn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.35
RARB P10826 1/20 0.34
ALOX5AP P20292 3/20 0.33
FEN1 P39748 3/20 0.33
USP7 Q93009 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAOB P27338 2/20 0.32
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ESR1 P03372 2/20 0.30
PRKACA P17612 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
PRKX P51817 1/20 0.30
PRKCQ Q04759 1/20 0.30
ROCK1 Q13464 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
SCHEMBL8046603 1.00 ABCG2 (0.35) ABCG2RARBALOX5APFEN1USP7
SCHEMBL8049225 0.95 FEN1 (0.35) ABCG2RARBALOX5APFEN1USP7
SCHEMBL8049222 0.95 FEN1 (0.35) ABCG2RARBALOX5APFEN1USP7
SCHEMBL8048484 0.95 RARB (0.37) ABCG2RARBALOX5APFEN1USP7
SCHEMBL8048489 0.95 RARB (0.37) ABCG2RARBALOX5APFEN1USP7
SCHEMBL8036891 0.94 ABCG2 (0.34) ABCG2RARBALOX5APFEN1USP7
SCHEMBL8036888 0.94 ABCG2 (0.34) ABCG2RARBALOX5APFEN1USP7
SCHEMBL8049277 0.91 NPC1 (0.36) ABCG2RARBALOX5APFEN1USP7
SCHEMBL8049284 0.91 NPC1 (0.36) ABCG2RARBALOX5APFEN1USP7
SCHEMBL8051119 0.91 RARB (0.38) ABCG2RARBMAOBESR1ESR2

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