SCHEMBL8046667

SCHEMBL8046667

CCCCCOC(C)CCCC=Cc1ncc2cc(O)ccc2n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
NR5A1 Q13285 1/20 0.32
TLR8 Q9NR97 2/20 0.32
CNR2 P34972 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CNR1 P21554 1/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
LTA4H P09960 1/20 0.31
LTB4R Q15722 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
SCHEMBL8046663 1.00 PPARG (0.33) PPARGPPARANR5A1TLR8CNR2
SCHEMBL8048474 0.92 PPARG (0.33) PPARGPPARANR5A1ESR1ESR2
SCHEMBL8048471 0.92 PPARG (0.33) PPARGPPARANR5A1ESR1ESR2
SCHEMBL8054200 0.89 ESR1 (0.34) ESR1ESR2
SCHEMBL8054193 0.89 ESR1 (0.34) ESR1ESR2
SCHEMBL8051041 0.85 MGLL (0.33) PPARGPPARACNR1ESR1ESR2
SCHEMBL8051044 0.85 MGLL (0.33) PPARGPPARACNR1ESR1ESR2
SCHEMBL8037290 0.85 GPBAR1 (0.32)
SCHEMBL8049208 0.85 CNR2 (0.35) CNR2ALDH1A1CNR1
SCHEMBL8037296 0.85 GPBAR1 (0.32)

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