SCHEMBL8047584

SCHEMBL8047584

CCCCCOC(C)CCC/C=C/c1ccc(-c2ccc3cc(O)ccc3n2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.39
ESR2 Q92731 7/20 0.39
MAPT P10636 5/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
MAOB P27338 2/20 0.31
TLR8 Q9NR97 3/20 0.30

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
SCHEMBL8047588 1.00 ESR1 (0.39) ESR1ESR2MAPTPPARGPPARA
SCHEMBL8036760 0.90 ESR1 (0.38) ESR1ESR2
SCHEMBL8036764 0.90 ESR1 (0.38) ESR1ESR2
SCHEMBL8051112 0.89 ESR1 (0.32) ESR1ESR2
SCHEMBL8051117 0.89 ESR1 (0.32) ESR1ESR2
SCHEMBL8048470 0.88 ESR1 (0.44) ESR1ESR2MAPTTLR8
SCHEMBL8048469 0.88 ESR1 (0.44) ESR1ESR2MAPTTLR8
SCHEMBL8054221 0.88 KDM4E (0.35) ESR1ESR2MAPT
SCHEMBL8054219 0.88 KDM4E (0.35) ESR1ESR2MAPT
SCHEMBL8036616 0.88 NPC1 (0.35) ESR1ESR2MAPT

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