SCHEMBL8035327

SCHEMBL8035327

CC(O)CCCC=Cc1ccc(-c2ccc(-c3ccc(O)cc3F)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
APP P05067 1/20 0.37
CYP2C9 P11712 1/20 0.37
USP7 Q93009 1/20 0.36
ESR1 P03372 8/20 0.36
ESR2 Q92731 2/20 0.36
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
ALOX5AP P20292 3/20 0.34
FEN1 P39748 3/20 0.34
TYR P14679 2/20 0.33
ABCB1 P08183 1/20 0.32
DHODH Q02127 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 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
SCHEMBL8035324 1.00 CYP3A4 (0.37) CYP3A4CYP2C19APPCYP2C9USP7
SCHEMBL8049586 0.97 ESR1 (0.38) CYP3A4CYP2C19APPCYP2C9USP7
SCHEMBL8049581 0.97 ESR1 (0.38) CYP3A4CYP2C19APPCYP2C9USP7
SCHEMBL8044671 0.89 APP (0.37) CYP3A4CYP2C19APPCYP2C9USP7
SCHEMBL8044668 0.89 APP (0.37) CYP3A4CYP2C19APPCYP2C9USP7
SCHEMBL8047055 0.87 USP7 (0.34) CYP3A4CYP2C19APPCYP2C9USP7
SCHEMBL8047052 0.87 USP7 (0.34) CYP3A4CYP2C19APPCYP2C9USP7
SCHEMBL8049570 0.87 APP (0.41) CYP3A4CYP2C19APPCYP2C9ESR1
SCHEMBL8049572 0.87 APP (0.41) CYP3A4CYP2C19APPCYP2C9ESR1
SCHEMBL8049761 0.86 MEN1 (0.36) USP7ESR1ESR2TYR

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