SCHEMBL8047003

SCHEMBL8047003

C=CCc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)O)cc3)cc2)cn1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL8047005 1.00 ENPP2 (0.32) ENPP2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8036505 1.00 ENPP2 (0.32) ENPP2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8036500 1.00 ENPP2 (0.32) ENPP2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8054340 0.89 HDAC1 (0.32) HDAC1HDAC8
SCHEMBL8054338 0.89 HDAC1 (0.32) HDAC1HDAC8
SCHEMBL8048799 0.89 ALOX5AP (0.34)
SCHEMBL8048804 0.89 ALOX5AP (0.34)
SCHEMBL7558253 0.88 HDAC3 (0.30) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7558250 0.88 HDAC3 (0.30) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8051193 0.87 ALOX5AP (0.34)

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