SCHEMBL8048489

SCHEMBL8048489

CCCCCOC(C)CCCC=Cc1cnc(-c2ccc(-c3ccc(O)cc3F)cc2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.37
USP7 Q93009 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ESR1 P03372 3/20 0.33
MAOB P27338 2/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
ROCK1 Q13464 2/20 0.33
PRKACA P17612 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
PRKX P51817 1/20 0.33
PRKCQ Q04759 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PTPN11 Q06124 1/20 0.32
CNR2 P34972 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL8048484 1.00 RARB (0.37) RARBUSP7NPC1RAB9AKDM4E
SCHEMBL8046603 0.95 ABCG2 (0.35) RARBUSP7NPC1RAB9AKDM4E
SCHEMBL8046609 0.95 ABCG2 (0.35) RARBUSP7NPC1RAB9AKDM4E
SCHEMBL8048611 0.94 ABCG2 (0.33) RARBUSP7NPC1RAB9ACNR2
SCHEMBL8048608 0.94 ABCG2 (0.33) RARBUSP7NPC1RAB9ACNR2
SCHEMBL8037165 0.92 RARB (0.36) RARBNPC1RAB9AKDM4EMAOB
SCHEMBL8037169 0.92 RARB (0.36) RARBNPC1RAB9AKDM4EMAOB
SCHEMBL8049225 0.91 FEN1 (0.35) RARBUSP7NPC1RAB9AKDM4E
SCHEMBL8049222 0.91 FEN1 (0.35) RARBUSP7NPC1RAB9AKDM4E
SCHEMBL8051119 0.91 RARB (0.38) RARBESR1MAOBCNR2ABCG2

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