SCHEMBL8051041

SCHEMBL8051041

CCCCCOC(C)CCC/C=C/c1ncc2cc(-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
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
CYP17A1 P05093 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 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
SCHEMBL8051044 1.00 MGLL (0.33) MGLLFAAHCNR1ESR1ESR2
SCHEMBL8051648 0.90 MGLL (0.37) MGLLFAAHCNR1CYP17A1
SCHEMBL8051652 0.90 MGLL (0.37) MGLLFAAHCNR1CYP17A1
SCHEMBL8048474 0.89 PPARG (0.33) ESR1ESR2PPARGPPARA
SCHEMBL8048471 0.89 PPARG (0.33) ESR1ESR2PPARGPPARA
SCHEMBL8051266 0.89 MGLL (0.36) MGLLFAAHCNR1CYP17A1
SCHEMBL8051261 0.89 MGLL (0.36) MGLLFAAHCNR1CYP17A1
SCHEMBL8050907 0.89 JAK2 (0.30)
SCHEMBL8050912 0.89 JAK2 (0.30)
SCHEMBL8046513 0.87

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