SCHEMBL8046459

SCHEMBL8046459

C=CCc1ccc(-c2ccc3cc(C=CCCCC(C)O)ccc3c2)cc1F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ESR1 P03372 4/20 0.32
ESR2 Q92731 4/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL8046451 1.00 HDAC1 (0.32) HDAC1HDAC8ESR1ESR2GABRA1
SCHEMBL8047417 0.91 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL8051676 0.91 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL8051672 0.91 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL8047421 0.91 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL8048180 0.89 NPC1 (0.31) ESR1ESR2
SCHEMBL8048182 0.89 NPC1 (0.31) ESR1ESR2
SCHEMBL8036743 0.88 MAPT (0.34) ESR1ESR2
SCHEMBL8036737 0.88 MAPT (0.34) ESR1ESR2
SCHEMBL8036715 0.87 HDAC1 (0.31) HDAC1HDAC8

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