SCHEMBL8049548

SCHEMBL8049548

CC(O)CCCC=Cc1ccc(-c2ccc(O)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
TYR P14679 2/20 0.35
MIF P14174 1/20 0.35
ESR2 Q92731 7/20 0.34
CYP17A1 P05093 1/20 0.33
ESR1 P03372 5/20 0.33
APP P05067 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PELI1 Q96FA3 1/20 0.31
ABCB1 P08183 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL8035164 1.00 KIF11 (0.36) KIF11TYRMIFESR2CYP17A1
SCHEMBL8035163 1.00 KIF11 (0.36) KIF11TYRMIFESR2CYP17A1
SCHEMBL8049545 1.00 KIF11 (0.36) KIF11TYRMIFESR2CYP17A1
SCHEMBL8052678 0.90 ESR1 (0.45) TYRESR2ESR1CYP3A4CYP2C9
SCHEMBL8052682 0.90 ESR1 (0.45) TYRESR2ESR1CYP3A4CYP2C9
SCHEMBL8049362 0.89 MEN1 (0.40) TYRESR2
SCHEMBL8049367 0.89 MEN1 (0.40) TYRESR2
SCHEMBL8052728 0.88 NPC1 (0.33) ESR2ESR1
SCHEMBL8052723 0.88 NPC1 (0.33) ESR2ESR1
SCHEMBL8049561 0.88 NPC1 (0.35) ESR2ESR1HSD17B1HSD17B2

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