SCHEMBL27766366

SCHEMBL27766366

CC(C)[O-].CCCC(=O)CC(=O)[O-].[Ti+2]

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
FFAR3 O14843 3/20 0.48
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
CA1 P00915 3/20 0.38
CA4 P22748 2/20 0.38
HAO1 Q9UJM8 1/20 0.35
CA2 P00918 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL135517 0.96 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL28664419 0.96 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL28662616 0.96 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL29766975 0.96 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL8992525 0.96 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL29243903 0.96 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL30933013 0.96 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL29767000 0.96 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL29461606 0.96 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL3802245 0.96 HDAC3 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101472739-A Rubber-metal laminate NOK CORP (JP) 2009-07-01 CN disclosed