SCHEMBL8046239

SCHEMBL8046239

C=CCc1ccc(-c2cnc(-c3ccc(/C=C/CCCC(C)O)cc3F)nc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.32
FEN1 P39748 3/20 0.32
CNR2 P34972 2/20 0.31
CNR1 P21554 1/20 0.31
KCNA3 P22001 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 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
SCHEMBL8046243 1.00 ALOX5AP (0.32) ALOX5APFEN1CNR2CNR1KCNA3
SCHEMBL8047395 0.94 CNR2 (0.33) ALOX5APFEN1CNR2CNR1GABRA1
SCHEMBL8047400 0.94 CNR2 (0.33) ALOX5APFEN1CNR2CNR1GABRA1
SCHEMBL8047708 0.94 FEN1 (0.34) ALOX5APFEN1KCNA3
SCHEMBL8047712 0.94 FEN1 (0.34) ALOX5APFEN1KCNA3
SCHEMBL8053918 0.91
SCHEMBL8053915 0.91
SCHEMBL8049315 0.90 KCNA3 (0.36) CNR2CNR1KCNA3GABRA1GABRB2
SCHEMBL8049317 0.90 KCNA3 (0.36) CNR2CNR1KCNA3GABRA1GABRB2
SCHEMBL8050852 0.90 FEN1 (0.33) ALOX5APFEN1KCNA3

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