SCHEMBL28256607

SCHEMBL28256607

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.52
HDAC1 Q13547 4/20 0.52
HDAC2 Q92769 4/20 0.52
HDAC8 Q9BY41 4/20 0.52
FFAR3 O14843 3/20 0.52
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
CA4 P22748 2/20 0.41
CA1 P00915 1/20 0.41
HAO1 Q9UJM8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
CTSD P07339 1/20 0.36
TSHR P16473 1/20 0.35
BBOX1 O75936 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL31533503 1.00 HDAC3 (0.52) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL17743477 0.95 HDAC3 (0.52) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL29767017 0.95 HDAC3 (0.52) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL29767053 0.95 HDAC3 (0.52) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL29766986 0.95 HDAC3 (0.52) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL49244 0.95 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC8FFAR3
Water SCHEMBL25369620 0.93 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL31018770 0.93 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL20490103 0.93 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL30394787 0.93 HDAC3 (0.55) 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-105190901-B Field effect transistor 东丽株式会社 2018-12-04 CN disclosed