SCHEMBL8045545

SCHEMBL8045545

CC(O)CCCC=Cc1ccc(-c2ccc(O)cc2F)nc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.34
ALOX5AP P20292 7/20 0.33
FEN1 P39748 7/20 0.33
USP7 Q93009 1/20 0.33
HDAC1 Q13547 1/20 0.32
KDM1A O60341 1/20 0.32
ESR1 P03372 5/20 0.32
ESR2 Q92731 4/20 0.32
CYP11B1 P15538 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
WNT3A P56704 1/20 0.31

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
SCHEMBL8045542 1.00 TYR (0.34) TYRALOX5APFEN1USP7HDAC1
SCHEMBL8047052 0.93 USP7 (0.34) ALOX5APFEN1USP7HDAC1ESR1
SCHEMBL8047055 0.93 USP7 (0.34) ALOX5APFEN1USP7HDAC1ESR1
SCHEMBL8035073 0.93 USP7 (0.35) TYRALOX5APFEN1USP7ESR1
SCHEMBL8035068 0.93 USP7 (0.35) TYRALOX5APFEN1USP7ESR1
SCHEMBL8047375 0.92 ALOX5AP (0.34) TYRALOX5APFEN1HDAC1KDM1A
SCHEMBL8047371 0.92 ALOX5AP (0.34) TYRALOX5APFEN1HDAC1KDM1A
SCHEMBL8046064 0.90 USP7 (0.35) TYRALOX5APFEN1USP7HDAC1
SCHEMBL8046061 0.90 USP7 (0.35) TYRALOX5APFEN1USP7HDAC1
SCHEMBL8053514 0.89 FEN1 (0.36) ALOX5APFEN1USP7

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