SCHEMBL8047455

SCHEMBL8047455

C=CCOc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)O)c(F)c3)cc2)nc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
MAPT P10636 6/20 0.32
MAOB P27338 2/20 0.32
CYP2D6 P10635 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
SCHEMBL8047460 1.00 CYP4F2 (0.33) CYP4F2CYP4A11GPR119PDE3BPDE3A
SCHEMBL8036579 0.96 GPR119 (0.35) CYP4F2CYP4A11GPR119PDE3BPDE3A
SCHEMBL8036570 0.96 GPR119 (0.35) CYP4F2CYP4A11GPR119PDE3BPDE3A
SCHEMBL8047731 0.94 MAOB (0.33) PDE3BPDE3AP2RY12MAPTMAOB
SCHEMBL8047734 0.94 MAOB (0.33) PDE3BPDE3AP2RY12MAPTMAOB
SCHEMBL8036697 0.93 MAOB (0.33) GPR119PDE3BPDE3AP2RY12MAPT
SCHEMBL8036702 0.93 MAOB (0.33) GPR119PDE3BPDE3AP2RY12MAPT
SCHEMBL8051470 0.91 CYP2D6 (0.37) PDE3BPDE3AP2RY12MAPTMAOB
SCHEMBL8046442 0.91 CYP2D6 (0.37) PDE3BPDE3AP2RY12MAPTMAOB
SCHEMBL8051474 0.91 CYP2D6 (0.37) PDE3BPDE3AP2RY12MAPTMAOB

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