SCHEMBL5551387

SCHEMBL5551387

CCCC(=O)C(CC)(CC)C(=O)[O-].CCCC(=O)C(CC)(CC)C(=O)[O-].CCCC(=O)C(CC)(CC)C(=O)[O-].CCCC(=O)C(CC)(CC)C(=O)[O-].[Zr+4]

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC8 Q9BY41 4/20 0.44
FFAR3 O14843 3/20 0.44
CES2 O00748 6/20 0.42
CES1 P23141 6/20 0.42
CA1 P00915 1/20 0.34
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
FAAH O00519 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL154490 0.95 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL5552574 0.95 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL20506734 0.95 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL10824710 0.95 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL1615730 0.95 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL1924418 0.89 CA1 (0.36) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL10377057 0.83 FFAR3 (0.34) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL7937645 0.80 CA1 (0.33) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL17433672 0.80 FFAR3 (0.36) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL28048905 0.80 FFAR3 (0.36) HDAC3HDAC1HDAC2HDAC8FFAR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208256-B2 Toner for image formation, method of producing the toner, toner container, toner cartridge, process cartridge, and image forming apparatus RICOH COMPANY, LTD. (JP) 2007-04-24 US disclosed
US-20050026066-A1 Toner for image formation, method of producing the toner, toner container, toner cartridge, process cartridge, and image forming apparatus RICOH COMPANY, LTD. (JP) 2005-02-03 US disclosed