SCHEMBL8046672

SCHEMBL8046672

C=CCc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)O)cc3)cc2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.34
PTGS2 P35354 1/20 0.34
GABRA1 P14867 7/20 0.33
GABRB2 P47870 7/20 0.33
CNR2 P34972 6/20 0.33
CNR1 P21554 3/20 0.33
MEN1 O00255 3/20 0.33
GAA P10253 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
GABRB1 P18505 1/20 0.33
RXRA P19793 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL8046675 1.00 ALOX5 (0.34) ALOX5PTGS2GABRA1GABRB2CNR2
SCHEMBL8049116 0.99 ALOX5 (0.35) ALOX5PTGS2GABRA1GABRB2CNR2
SCHEMBL8049109 0.99 ALOX5 (0.35) ALOX5PTGS2GABRA1GABRB2CNR2
SCHEMBL8054649 0.95 KCNA3 (0.34) ALOX5PTGS2GABRA1GABRB2CNR2
SCHEMBL8048174 0.95 KCNA3 (0.34) ALOX5PTGS2GABRA1GABRB2CNR2
SCHEMBL8054653 0.95 KCNA3 (0.34) ALOX5PTGS2GABRA1GABRB2CNR2
SCHEMBL8048171 0.95 KCNA3 (0.34) ALOX5PTGS2GABRA1GABRB2CNR2
SCHEMBL8049315 0.94 KCNA3 (0.36) ALOX5PTGS2GABRA1GABRB2CNR2
SCHEMBL8049317 0.94 KCNA3 (0.36) ALOX5PTGS2GABRA1GABRB2CNR2
SCHEMBL8051328 0.92 KCNA3 (0.37) ALOX5PTGS2GABRA1GABRB2CNR2

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