SCHEMBL8044671

SCHEMBL8044671

CC(O)CCCC=Cc1ncc(-c2ccc(-c3ccc(O)cc3F)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALOX5AP P20292 7/20 0.36
FEN1 P39748 7/20 0.36
USP7 Q93009 1/20 0.36
ESR1 P03372 7/20 0.36
ESR2 Q92731 1/20 0.36
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
TYR P14679 2/20 0.33
ABCB1 P08183 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
SCHEMBL8044668 1.00 APP (0.37) APPCYP3A4CYP2C9CYP2C19ALOX5AP
SCHEMBL8052361 0.95 ALOX5AP (0.36) APPCYP3A4CYP2C9CYP2C19ALOX5AP
SCHEMBL8052366 0.95 ALOX5AP (0.36) APPCYP3A4CYP2C9CYP2C19ALOX5AP
SCHEMBL8035327 0.89 CYP3A4 (0.37) APPCYP3A4CYP2C9CYP2C19ALOX5AP
SCHEMBL8035324 0.89 CYP3A4 (0.37) APPCYP3A4CYP2C9CYP2C19ALOX5AP
SCHEMBL8049586 0.88 ESR1 (0.38) APPCYP3A4CYP2C9CYP2C19ALOX5AP
SCHEMBL8049581 0.88 ESR1 (0.38) APPCYP3A4CYP2C9CYP2C19ALOX5AP
SCHEMBL8046260 0.88 USP7 (0.35) APPCYP3A4CYP2C9CYP2C19ALOX5AP
SCHEMBL8046265 0.88 USP7 (0.35) APPCYP3A4CYP2C9CYP2C19ALOX5AP
SCHEMBL8047055 0.87 USP7 (0.34) 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