SCHEMBL8046898

SCHEMBL8046898

CCCCCOC(C)CCC/C=C/c1ccc2nc(-c3ccc(O)c(F)c3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.37
ESR2 Q92731 6/20 0.37
MIF P14174 5/20 0.34
APP P05067 4/20 0.32
MAPT P10636 1/20 0.32
MGLL Q99685 3/20 0.32
FAAH O00519 2/20 0.32
CNR1 P21554 2/20 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
SCHEMBL8046904 1.00 ESR1 (0.37) ESR1ESR2MIFAPPMAPT
SCHEMBL8048543 0.89 ESR1 (0.41) ESR1ESR2MIFMAPT
SCHEMBL8048540 0.89 ESR1 (0.41) ESR1ESR2MIFMAPT
SCHEMBL8048931 0.89 ESR1 (0.35) ESR1ESR2APPMAPTMGLL
SCHEMBL8048934 0.89 ESR1 (0.35) ESR1ESR2APPMAPTMGLL
SCHEMBL8048378 0.88
SCHEMBL8048380 0.88
SCHEMBL8036650 0.88 ESR1 (0.38) ESR1ESR2APPMGLLFAAH
SCHEMBL8036658 0.88 ESR1 (0.38) ESR1ESR2APPMGLLFAAH
SCHEMBL8051130 0.88 APP (0.32) MIFAPPMAPT

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