SCHEMBL8045752

SCHEMBL8045752

CC(O)CCCC=Cc1cnc(-c2ccc(O)cc2F)nc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.35
USP7 Q93009 2/20 0.34
ESR1 P03372 10/20 0.33
ESR2 Q92731 8/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
APP P05067 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 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
SCHEMBL8045749 1.00 TYR (0.35) TYRUSP7ESR1ESR2FGFR1
SCHEMBL8052699 0.92 ESR1 (0.36) TYRUSP7ESR1ESR2FGFR1
SCHEMBL8052695 0.92 ESR1 (0.36) TYRUSP7ESR1ESR2FGFR1
SCHEMBL8046265 0.92 USP7 (0.35) TYRUSP7ESR1ESR2FGFR1
SCHEMBL8046260 0.92 USP7 (0.35) TYRUSP7ESR1ESR2FGFR1
SCHEMBL8047280 0.90 ALOX5AP (0.31)
SCHEMBL8047282 0.90 ALOX5AP (0.31)
SCHEMBL8052930 0.88 USP7 (0.35) TYRUSP7ESR1ESR2FGFR1
SCHEMBL8052934 0.88 USP7 (0.35) TYRUSP7ESR1ESR2FGFR1
SCHEMBL8034895 0.87 APP (0.36) USP7APPCYP3A4CYP2C9CYP2C19

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