SCHEMBL8049882

SCHEMBL8049882

CC(O)CCC/C=C/c1ncc2cc(-c3ccc(O)cc3)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
ESR2 Q92731 3/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
MAP4K4 O95819 1/20 0.32
CDK8 P49336 1/20 0.32
CLK2 P49760 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CDK5 Q00535 1/20 0.32
ACVR1 Q04771 1/20 0.32
ROCK1 Q13464 1/20 0.32
DYRK1A Q13627 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
BRAF P15056 3/20 0.31
ESR1 P03372 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
SCHEMBL8049887 1.00 PDE3B (0.38) PDE3BPDE3AP2RY12ESR2PDGFRB
SCHEMBL8052807 0.91 PDE3B (0.38) PDE3BPDE3AP2RY12MIF
SCHEMBL8052810 0.91 PDE3B (0.38) PDE3BPDE3AP2RY12MIF
SCHEMBL8049430 0.87 PDE3B (0.35) PDE3BPDE3AP2RY12ESR2ESR1
SCHEMBL8049424 0.87 PDE3B (0.35) PDE3BPDE3AP2RY12ESR2ESR1
SCHEMBL8046907 0.87 ESR2 (0.40) PDE3BPDE3AP2RY12ESR2ESR1
SCHEMBL8046902 0.87 ESR2 (0.40) PDE3BPDE3AP2RY12ESR2ESR1
SCHEMBL8048793 0.86 PDE3B (0.35) PDE3BPDE3AP2RY12
SCHEMBL8048788 0.86 PDE3B (0.35) PDE3BPDE3AP2RY12
SCHEMBL8036944 0.85 PDE3B (0.40) PDE3BPDE3AP2RY12BRAF

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