SCHEMBL8049629

SCHEMBL8049629

CC(O)CCCC=Cc1ccc(-c2ccc(-c3ncc(O)cn3)cc2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 13/20 0.34
FEN1 P39748 13/20 0.34
MAOB P27338 5/20 0.33
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 0.31

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
SCHEMBL8049627 1.00 ALOX5AP (0.34) ALOX5APFEN1MAOBAPPCYP3A4
SCHEMBL8049413 0.93 FEN1 (0.37) ALOX5APFEN1APPCYP3A4CYP2C9
SCHEMBL8049407 0.93 FEN1 (0.37) ALOX5APFEN1APPCYP3A4CYP2C9
SCHEMBL8047280 0.92 ALOX5AP (0.31) ALOX5APFEN1
SCHEMBL8047282 0.92 ALOX5AP (0.31) ALOX5APFEN1
SCHEMBL8052695 0.90 ESR1 (0.36) ALOX5APFEN1APPCYP3A4CYP2C9
SCHEMBL8052699 0.90 ESR1 (0.36) ALOX5APFEN1APPCYP3A4CYP2C9
SCHEMBL8052934 0.88 USP7 (0.35) ALOX5APFEN1APPCYP3A4CYP2C9
SCHEMBL8052930 0.88 USP7 (0.35) ALOX5APFEN1APPCYP3A4CYP2C9
SCHEMBL8046888 0.88 APP (0.42) MAOBAPPCYP3A4CYP2C9CYP2C19

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