SCHEMBL8044686

SCHEMBL8044686

CC(O)CCC/C=C/c1ccc(-c2ccc(O)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.41
ESR2 Q92731 5/20 0.41
APP P05067 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TYR P14679 2/20 0.38
ABCB1 P08183 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
USP7 Q93009 1/20 0.33

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
SCHEMBL8044688 1.00 ESR1 (0.41) ESR1ESR2APPCYP3A4CYP2C9
SCHEMBL8049572 0.99 APP (0.41) ESR1ESR2APPCYP3A4CYP2C9
SCHEMBL8049570 0.99 APP (0.41) ESR1ESR2APPCYP3A4CYP2C9
SCHEMBL8052645 0.93 APP (0.43) ESR1ESR2APPCYP3A4CYP2C9
SCHEMBL8034765 0.93 APP (0.43) ESR1ESR2APPCYP3A4CYP2C9
SCHEMBL8034762 0.93 APP (0.43) ESR1ESR2APPCYP3A4CYP2C9
SCHEMBL8052647 0.93 APP (0.43) ESR1ESR2APPCYP3A4CYP2C9
SCHEMBL8046893 0.93 APP (0.42) ESR1ESR2APPCYP3A4CYP2C9
SCHEMBL8046888 0.93 APP (0.42) ESR1ESR2APPCYP3A4CYP2C9
SCHEMBL8046988 0.91 APP (0.44) ESR1ESR2APPCYP3A4CYP2C9

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