SCHEMBL8034895

SCHEMBL8034895

CC(O)CCCC=Cc1ccc(-c2ncc(-c3ccc(O)cc3)cn2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5AP P20292 12/20 0.34
FEN1 P39748 12/20 0.34
USP7 Q93009 2/20 0.33
MAOB P27338 2/20 0.30

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
SCHEMBL8034893 1.00 APP (0.36) APPCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8046260 0.94 USP7 (0.35) APPCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8046265 0.94 USP7 (0.35) APPCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8049413 0.93 FEN1 (0.37) APPCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8049407 0.93 FEN1 (0.37) APPCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8047282 0.91 ALOX5AP (0.31) ALOX5APFEN1
SCHEMBL8047280 0.91 ALOX5AP (0.31) ALOX5APFEN1
SCHEMBL8046988 0.89 APP (0.44) APPCYP3A4CYP2C9CYP2C19MAOB
SCHEMBL8046986 0.89 APP (0.44) APPCYP3A4CYP2C9CYP2C19MAOB
SCHEMBL8053514 0.89 FEN1 (0.36) APPCYP3A4CYP2C9CYP2C19ALOX5AP

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