SCHEMBL8045936

SCHEMBL8045936

C=CCc1ccc(-c2ccc3nc(/C=C/CCCC(C)O)ncc3c2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.33
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 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
SCHEMBL8045940 1.00 ALOX5 (0.33) ALOX5CNR2CNR1AKR1C3AKR1C2
SCHEMBL8048793 0.88 PDE3B (0.35) ALOX5PDE3BPDE3AP2RY12
SCHEMBL8048788 0.88 PDE3B (0.35) ALOX5PDE3BPDE3AP2RY12
SCHEMBL8049151 0.88 PDE3B (0.35) ALOX5CNR2CNR1PDE3BPDE3A
SCHEMBL8049156 0.88 PDE3B (0.35) ALOX5CNR2CNR1PDE3BPDE3A
SCHEMBL8051232 0.87 ALOX5AP (0.33) ALOX5CNR2CNR1GABRA1GABRB2
SCHEMBL8051236 0.87 ALOX5AP (0.33) ALOX5CNR2CNR1GABRA1GABRB2
SCHEMBL8053952 0.86 ALOX5AP (0.34) ALOX5CNR2CNR1GABRA1GABRB2
SCHEMBL8053948 0.86 ALOX5AP (0.34) ALOX5CNR2CNR1GABRA1GABRB2
SCHEMBL8046902 0.86 ESR2 (0.40) AKR1C3AKR1C2PDE3BPDE3AP2RY12

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