SCHEMBL8049578

SCHEMBL8049578

CC(O)CCC/C=C/c1ccc2cc(-c3ccc(O)cc3F)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.52
ESR2 Q92731 10/20 0.52
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
TYR P14679 2/20 0.34
APP P05067 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL8049584 1.00 ESR1 (0.52) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL8035088 0.96 ESR2 (0.52) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL8035084 0.96 ESR2 (0.52) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL8044686 0.90 ESR1 (0.41) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL8044688 0.90 ESR1 (0.41) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL8049570 0.89 APP (0.41) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL8049572 0.89 APP (0.41) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL8046893 0.87 APP (0.42) ESR1ESR2TYRAPPCYP3A4
SCHEMBL8046888 0.87 APP (0.42) ESR1ESR2TYRAPPCYP3A4
SCHEMBL8046988 0.86 APP (0.44) ESR1ESR2TYRAPPCYP3A4

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