SCHEMBL8049236

SCHEMBL8049236

CC(O)CCCC=Cc1ccc2nc(O)ncc2c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
LTB4R Q15722 1/20 0.31
SOAT1 P35610 1/20 0.30
FAAH O00519 1/20 0.30
CNR2 P34972 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
SCHEMBL8049231 1.00 PDE3B (0.38) PDE3BPDE3AP2RY12HDAC1HDAC8
SCHEMBL8052749 0.91 PDE3B (0.38) PDE3BPDE3AP2RY12HDAC1HDAC8
SCHEMBL8052754 0.91 PDE3B (0.38) PDE3BPDE3AP2RY12HDAC1HDAC8
SCHEMBL8047491 0.88 AKR1C3 (0.34) PDE3BPDE3AP2RY12
SCHEMBL8047498 0.88 AKR1C3 (0.34) PDE3BPDE3AP2RY12
SCHEMBL8036956 0.83 PDE3B (0.33) PDE3BPDE3AP2RY12
SCHEMBL8036959 0.83 PDE3B (0.33) PDE3BPDE3AP2RY12
SCHEMBL8044608 0.82 HDAC1 (0.35) PDE3BPDE3AP2RY12HDAC1HDAC8
SCHEMBL8044602 0.82 HDAC1 (0.35) PDE3BPDE3AP2RY12HDAC1HDAC8
SCHEMBL8035369 0.82 PDE3B (0.36) 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