SCHEMBL8048174

SCHEMBL8048174

C=CCc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)O)cc3)c(F)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.34
PTGS2 P35354 1/20 0.33
ALOX5 P09917 2/20 0.32
KIF11 P52732 1/20 0.32
TNNC1 P63316 1/20 0.31
RARB P10826 1/20 0.31
APP P05067 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CNR2 P34972 3/20 0.30
CNR1 P21554 2/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
RXRA P19793 1/20 0.30
GABRA5 P31644 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
SCHEMBL8054649 1.00 KCNA3 (0.34) KCNA3PTGS2ALOX5KIF11TNNC1
SCHEMBL8054653 1.00 KCNA3 (0.34) KCNA3PTGS2ALOX5KIF11TNNC1
SCHEMBL8048171 1.00 KCNA3 (0.34) KCNA3PTGS2ALOX5KIF11TNNC1
SCHEMBL8046672 0.95 ALOX5 (0.34) KCNA3PTGS2ALOX5TNNC1RARB
SCHEMBL8049315 0.95 KCNA3 (0.36) KCNA3PTGS2ALOX5RARBAPP
SCHEMBL8046675 0.95 ALOX5 (0.34) KCNA3PTGS2ALOX5TNNC1RARB
SCHEMBL8049317 0.95 KCNA3 (0.36) KCNA3PTGS2ALOX5RARBAPP
SCHEMBL8051333 0.94 KCNA3 (0.37) KCNA3PTGS2ALOX5RARBCNR2
SCHEMBL8051328 0.94 KCNA3 (0.37) KCNA3PTGS2ALOX5RARBCNR2
SCHEMBL8049116 0.94 ALOX5 (0.35) KCNA3PTGS2ALOX5TNNC1RARB

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