SCHEMBL8047411

SCHEMBL8047411

C=CCOc1ccc(-c2ccc(-c3cnc(C=CCCCC(C)OCCCCC)nc3)cc2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
PTPN11 Q06124 1/20 0.32
SRC P12931 2/20 0.31
ABL1 P00519 1/20 0.31
ROCK1 Q13464 2/20 0.31
PRKACA P17612 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
PRKX P51817 1/20 0.31
PRKCQ Q04759 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
RARB P10826 1/20 0.31
ALOX5AP P20292 2/20 0.30
FEN1 P39748 2/20 0.30
CNR2 P34972 1/20 0.30
ROCK2 O75116 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
SCHEMBL8047406 1.00 S1PR1 (0.33) S1PR1S1PR3PTPN11SRCABL1
SCHEMBL8036448 0.96 SRC (0.32) S1PR1S1PR3SRCABL1ALOX5AP
SCHEMBL8036441 0.96 SRC (0.32) S1PR1S1PR3SRCABL1ALOX5AP
SCHEMBL8036797 0.93 S1PR1 (0.33) S1PR1S1PR3PTPN11SRCABL1
SCHEMBL8036792 0.93 S1PR1 (0.33) S1PR1S1PR3PTPN11SRCABL1
SCHEMBL8036893 0.91 S1PR1 (0.35) S1PR1S1PR3PTPN11SRCABL1
SCHEMBL8036890 0.91 S1PR1 (0.35) S1PR1S1PR3PTPN11SRCABL1
SCHEMBL8235189 0.91 PTPN11 (0.31) S1PR1S1PR3PTPN11
SCHEMBL8235183 0.91 PTPN11 (0.31) S1PR1S1PR3PTPN11
SCHEMBL8048835 0.91 S1PR1 (0.33) S1PR1S1PR3PTPN11SRCABL1

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