SCHEMBL8047556

SCHEMBL8047556

CCCCCOC(C)CCC/C=C/c1ccc(-c2ccc3cc(O)ccc3n2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
TLR8 Q9NR97 3/20 0.31
PPARG P37231 2/20 0.30
PPARA Q07869 2/20 0.30
LTB4R Q15722 1/20 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
SCHEMBL8047563 1.00 ESR1 (0.33) ESR1ESR2TLR8PPARGPPARA
SCHEMBL8036705 0.89 NPC1 (0.31)
SCHEMBL8036714 0.89 NPC1 (0.31)
SCHEMBL8048381 0.89 ESR1 (0.31) ESR1ESR2LTB4R
SCHEMBL8048385 0.89 ESR1 (0.31) ESR1ESR2LTB4R
SCHEMBL8048374 0.89 ALDH1A1 (0.35)
SCHEMBL8048368 0.89 ALDH1A1 (0.35)
SCHEMBL8051132 0.88 ESR1 (0.36) ESR1ESR2
SCHEMBL8051128 0.88 ESR1 (0.36) ESR1ESR2
SCHEMBL8048464 0.87 CNR2 (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