SCHEMBL8044602

SCHEMBL8044602

CC(O)CCC/C=C/c1ccc2nc(O)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34
LTB4R Q15722 1/20 0.34
TLR8 Q9NR97 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
SCHEMBL8044608 1.00 HDAC1 (0.35) HDAC1HDAC8PDE3BPDE3AP2RY12
SCHEMBL8046238 0.83 ESR1 (0.49) PDE3BPDE3AP2RY12
SCHEMBL8046231 0.83 ESR1 (0.49) PDE3BPDE3AP2RY12
SCHEMBL8045348 0.82 PDE3B (0.33) PDE3BPDE3AP2RY12LTB4R
SCHEMBL8049236 0.82 PDE3B (0.38) HDAC1HDAC8PDE3BPDE3AP2RY12
SCHEMBL8045345 0.82 PDE3B (0.33) PDE3BPDE3AP2RY12LTB4R
SCHEMBL8049231 0.82 PDE3B (0.38) HDAC1HDAC8PDE3BPDE3AP2RY12
SCHEMBL8049012 0.82 HDAC1 (0.32) HDAC1HDAC8PDE3BPDE3AP2RY12
SCHEMBL8049010 0.82 HDAC1 (0.32) HDAC1HDAC8PDE3BPDE3AP2RY12
SCHEMBL8047191 0.81 HDAC1 (0.40) HDAC1HDAC8LTB4R

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