SCHEMBL8051652

SCHEMBL8051652

CCCCCOC(C)CCCC=Cc1ncc(-c2ccc(O)c(F)c2)cn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.37
FAAH O00519 2/20 0.37
CNR1 P21554 2/20 0.37
CYP17A1 P05093 1/20 0.34
HSD17B14 Q9BPX1 1/20 0.33
TRPV1 Q8NER1 2/20 0.32
CNR2 P34972 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 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
SCHEMBL8051648 1.00 MGLL (0.37) MGLLFAAHCNR1CYP17A1HSD17B14
SCHEMBL8051266 0.99 MGLL (0.36) MGLLFAAHCNR1CYP17A1HSD17B14
SCHEMBL8051261 0.99 MGLL (0.36) MGLLFAAHCNR1CYP17A1HSD17B14
SCHEMBL8053843 0.91 MGLL (0.36) MGLLFAAHCNR1CYP17A1HSD17B14
SCHEMBL8053836 0.91 MGLL (0.36) MGLLFAAHCNR1CYP17A1HSD17B14
SCHEMBL8046534 0.90 MGLL (0.36) MGLLFAAHCNR1CYP17A1HSD17B14
SCHEMBL8046540 0.90 MGLL (0.36) MGLLFAAHCNR1CYP17A1HSD17B14
SCHEMBL8051041 0.90 MGLL (0.33) MGLLFAAHCNR1CYP17A1
SCHEMBL8051044 0.90 MGLL (0.33) MGLLFAAHCNR1CYP17A1
SCHEMBL8046228 0.90 MGLL (0.34) MGLLFAAHCNR1CYP17A1HSD17B14

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