SCHEMBL8049012

SCHEMBL8049012

C=CCc1ccc2cc(C=CCCCC(C)O)ccc2n1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
LTB4R Q15722 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
SCHEMBL8049010 1.00 HDAC1 (0.32) HDAC1HDAC8PDE3BPDE3AP2RY12
SCHEMBL8048987 0.84 PDE3B (0.31) PDE3BPDE3AP2RY12
SCHEMBL8048983 0.84 PDE3B (0.31) PDE3BPDE3AP2RY12
SCHEMBL8048999 0.83 HDAC1 (0.34) HDAC1HDAC8
SCHEMBL8049003 0.83 HDAC1 (0.34) HDAC1HDAC8
SCHEMBL8051060 0.83 MAPT (0.36) PDE3BPDE3AP2RY12
SCHEMBL8051063 0.83 MAPT (0.36) PDE3BPDE3AP2RY12
SCHEMBL8036959 0.82 PDE3B (0.33) PDE3BPDE3AP2RY12
SCHEMBL8036956 0.82 PDE3B (0.33) PDE3BPDE3AP2RY12
SCHEMBL8044602 0.82 HDAC1 (0.35) HDAC1HDAC8PDE3BPDE3AP2RY12

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