SCHEMBL8049620

SCHEMBL8049620

CCCCCOC(C)CCCC=Cc1cnc2cc(-c3ccc(O)c(F)c3)ccc2n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.33
FAAH O00519 2/20 0.33
CNR1 P21554 2/20 0.33
LTB4R Q15722 1/20 0.33
JAK1 P23458 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CYP17A1 P05093 1/20 0.31

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
SCHEMBL8049617 1.00 MGLL (0.33) MGLLFAAHCNR1LTB4RJAK1
SCHEMBL8047379 0.90 LTB4R (0.32) LTB4R
SCHEMBL8047382 0.90 LTB4R (0.32) LTB4R
SCHEMBL8048970 0.89 LTB4R (0.34) LTB4RESR1ESR2
SCHEMBL8048965 0.89 LTB4R (0.34) LTB4RESR1ESR2
SCHEMBL8036407 0.87
SCHEMBL8036402 0.87
SCHEMBL8048931 0.87 ESR1 (0.35) MGLLFAAHCNR1ESR1ESR2
SCHEMBL8048934 0.87 ESR1 (0.35) MGLLFAAHCNR1ESR1ESR2
SCHEMBL8048956 0.87 JAK1 (0.34) LTB4RJAK1ESR1ESR2

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