SCHEMBL8047397

SCHEMBL8047397

C=CCOc1ccc(-c2cnc3cc(C=CCCCC(C)O)ccc3n2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
MAOB P27338 2/20 0.32
CYP2D6 P10635 1/20 0.31
MET P08581 1/20 0.31
SRC P12931 1/20 0.31
KDR P35968 1/20 0.31
MAPT P10636 4/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL8047388 1.00 PDE3B (0.33) PDE3BPDE3AP2RY12MAOBCYP2D6
SCHEMBL8048650 0.97 PDE3B (0.33) PDE3BPDE3AP2RY12MAOBCYP2D6
SCHEMBL8048657 0.97 PDE3B (0.33) PDE3BPDE3AP2RY12MAOBCYP2D6
SCHEMBL8046065 0.89 MAPT (0.35) PDE3BPDE3AP2RY12MAOBSRC
SCHEMBL8046060 0.89 MAPT (0.35) PDE3BPDE3AP2RY12MAOBSRC
SCHEMBL8036901 0.88 MAPT (0.36) PDE3BPDE3AP2RY12MAOBSRC
SCHEMBL8036899 0.88 MAPT (0.36) PDE3BPDE3AP2RY12MAOBSRC
SCHEMBL8051555 0.88 PDE3B (0.36) PDE3BPDE3AP2RY12MAOBCYP2D6
SCHEMBL8051551 0.88 PDE3B (0.36) PDE3BPDE3AP2RY12MAOBCYP2D6
SCHEMBL8051021 0.87

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 3 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-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