SCHEMBL28405233

SCHEMBL28405233

CCC(C(C)=O)(C(C)=O)C(=O)CC(=O)[O-].CCC(C(C)=O)(C(C)=O)C(=O)CC(=O)[O-].CCC(C(C)=O)(C(C)=O)C(=O)CC(=O)[O-].[Al+3]

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA4 P22748 2/20 0.38
FFAR3 O14843 2/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 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
SCHEMBL27727277 0.77 CA1 (0.35) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL2166990 0.75 CA4 (0.43) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL237875 0.75 CA4 (0.43) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL27679982 0.74 KDM4E (0.32)
SCHEMBL6910126 0.72 ALDH1A1 (0.41) FFAR3
SCHEMBL27589222 0.72 CA1 (0.35) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL27570689 0.72 CA1 (0.35) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL20506735 0.70 CA4 (0.43) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL1615731 0.70 CA4 (0.43) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL10824711 0.70 CA4 (0.43) CA4FFAR3HDAC3HDAC1HDAC2

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-107408539-B Treated fillers and uses thereof 美国陶氏有机硅公司 2020-05-19 CN disclosed