SCHEMBL8046827

SCHEMBL8046827

CC(O)CCCC=Cc1ccc(-c2ccc(-c3cnc(O)nc3)cc2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 18/20 0.37
FEN1 P39748 18/20 0.37
APP P05067 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNA3 P22001 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
SCHEMBL8046823 1.00 ALOX5AP (0.37) ALOX5APFEN1APPCYP3A4CYP2C9
SCHEMBL8046697 0.94 FEN1 (0.37) ALOX5APFEN1
SCHEMBL8046701 0.94 FEN1 (0.37) ALOX5APFEN1
SCHEMBL8046122 0.90 ALOX5AP (0.36) ALOX5APFEN1APPCYP3A4CYP2C9
SCHEMBL8046124 0.90 ALOX5AP (0.36) ALOX5APFEN1APPCYP3A4CYP2C9
SCHEMBL8044534 0.89 FEN1 (0.37) ALOX5APFEN1
SCHEMBL8044531 0.89 FEN1 (0.37) ALOX5APFEN1
SCHEMBL8034893 0.89 APP (0.36) ALOX5APFEN1APPCYP3A4CYP2C9
SCHEMBL8034895 0.89 APP (0.36) ALOX5APFEN1APPCYP3A4CYP2C9
SCHEMBL8046988 0.88 APP (0.44) APPCYP3A4CYP2C9CYP2C19KCNA3

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