SCHEMBL8049407

SCHEMBL8049407

CC(O)CCC/C=C/c1ccc(-c2cnc(-c3ccc(O)cc3)nc2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 17/20 0.37
ALOX5AP P20292 16/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
APP P05067 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
USP7 Q93009 1/20 0.33

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
SCHEMBL8049413 1.00 FEN1 (0.37) FEN1ALOX5APMEN1NPC1RAB9A
SCHEMBL8052930 0.94 USP7 (0.35) FEN1ALOX5APMEN1NPC1RAB9A
SCHEMBL8052934 0.94 USP7 (0.35) FEN1ALOX5APMEN1NPC1RAB9A
SCHEMBL8034895 0.93 APP (0.36) FEN1ALOX5APMEN1NPC1RAB9A
SCHEMBL8034893 0.93 APP (0.36) FEN1ALOX5APMEN1NPC1RAB9A
SCHEMBL8049627 0.93 ALOX5AP (0.34) FEN1ALOX5APAPPCYP3A4CYP2C9
SCHEMBL8049629 0.93 ALOX5AP (0.34) FEN1ALOX5APAPPCYP3A4CYP2C9
SCHEMBL8044525 0.90 FEN1 (0.35) FEN1ALOX5APNPC1RAB9AAPP
SCHEMBL8044528 0.90 FEN1 (0.35) FEN1ALOX5APNPC1RAB9AAPP
SCHEMBL8052695 0.89 ESR1 (0.36) FEN1ALOX5APMEN1NPC1RAB9A

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