SCHEMBL6138485

SCHEMBL6138485

CCCC(=O)C(C(=O)[O-])C(=O)CCC.CCCC(=O)C(C(=O)[O-])C(=O)CCC.CCCC(=O)C(C(=O)[O-])C(=O)CCC.CCCC(=O)C(C(=O)[O-])C(=O)CCC.[Ti+4]

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 3/20 0.48
HDAC3 O15379 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.42
NFKB1 P19838 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CA1 P00915 3/20 0.37
CA2 P00918 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL982455 0.81 CES2 (0.50) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL4769708 0.80 FFAR3 (0.35) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL610851 0.78 FFAR3 (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL30364223 0.78 FFAR3 (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL11556450 0.74 CES1 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL11727566 0.74 CES1 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL4940589 0.74 HDAC1 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL192692 0.73 FFAR3 (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1304205 0.73 FFAR3 (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL8586807 0.73 FFAR3 (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8

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-1117102-B1 Method of manufacturing material for forming insulating film JSR CORP (JP) 2005-08-10 EP disclosed
US-6642352-B2 Providing a silicon inorganic polymer compound or polyarylenes or polyphenylene ether organic polymer compound, treating the polymeric compound with a zeta-potential producing filter material, and producing curable polymer compound JSR CORPORATION (JP) 2003-11-04 US disclosed
US-20010009936-A1 Method of manufacturing material for forming insulating film JSR CORPORATION (JP) 2001-07-26 US disclosed
EP-1117102-A2 Method of manufacturing material for forming insulating film JSR Corporation (JP) 2001-07-18 EP disclosed