SCHEMBL8050765

SCHEMBL8050765

C=CCOc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)O)c(F)c3)cc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.36
ATM Q13315 6/20 0.34
GABRA5 P31644 1/20 0.31
PIK3CD O00329 3/20 0.30
PIK3CA P42336 3/20 0.30
PIK3CB P42338 3/20 0.30
PI4KA P42356 3/20 0.30
PIK3CG P48736 3/20 0.30
PI4KB Q9UBF8 3/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
P2RY12 Q9H244 1/20 0.30
DGAT1 O75907 2/20 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
SCHEMBL8050769 1.00 ERN1 (0.36) ERN1ATMGABRA5PIK3CDPIK3CA
SCHEMBL8049261 0.99 ERN1 (0.37) ERN1ATMGABRA5PIK3CDPIK3CA
SCHEMBL8049256 0.99 ERN1 (0.37) ERN1ATMGABRA5PIK3CDPIK3CA
SCHEMBL8048811 0.89 TNF (0.32) PDE3BPDE3AP2RY12
SCHEMBL8048817 0.89 TNF (0.32) PDE3BPDE3AP2RY12
SCHEMBL8049249 0.88 TNF (0.33) PDE3BPDE3AP2RY12
SCHEMBL8049242 0.88 TNF (0.33) PDE3BPDE3AP2RY12
SCHEMBL8047683 0.88 DGAT1 (0.31) ERN1ATMDGAT1
SCHEMBL8047680 0.88 DGAT1 (0.31) ERN1ATMDGAT1
SCHEMBL8046442 0.87 CYP2D6 (0.37) PDE3BPDE3AP2RY12

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