SCHEMBL8046586

SCHEMBL8046586

C=CCOc1ncc(-c2ccc(-c3ccc(/C=C/CCCC(C)O)cc3F)cc2)cn1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 15/20 0.35
FEN1 P39748 15/20 0.35
KCNA3 P22001 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
SCHEMBL8046593 1.00 ALOX5AP (0.35) ALOX5APFEN1KCNA3
SCHEMBL8051216 0.95 ALOX5AP (0.35) ALOX5APFEN1
SCHEMBL8051213 0.95 ALOX5AP (0.35) ALOX5APFEN1
SCHEMBL8046681 0.90 ALOX5AP (0.35) ALOX5APFEN1KCNA3
SCHEMBL8046687 0.90 ALOX5AP (0.35) ALOX5APFEN1KCNA3
SCHEMBL8053663 0.89 NPC1 (0.33)
SCHEMBL8047728 0.89 NPC1 (0.33)
SCHEMBL8047726 0.89 NPC1 (0.33)
SCHEMBL8053658 0.89 NPC1 (0.33)
SCHEMBL8234695 0.89 ALOX5AP (0.34) ALOX5APFEN1

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