SCHEMBL28101100

SCHEMBL28101100

CCCC(C=O)(C(=O)O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FFAR3 O14843 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
FDPS P14324 2/20 0.31
ACLY P53396 1/20 0.30

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
SCHEMBL16335878 0.89 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8389141 0.79 MEN1 (0.33) FFAR3ALDH1A1MEN1CYP1A2THRB
SCHEMBL6629781 0.78 ACLY (0.33) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL27815505 0.78 ALDH1A1 (0.33) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL27448049 0.76 ACLY (0.32) ACLY
SCHEMBL5709860 0.75 FFAR3 (0.32) LMNAHSD17B10FFAR3HDAC3HDAC1
SCHEMBL3947952 0.75 FFAR3 (0.32) LMNAHSD17B10FFAR3HDAC3HDAC1
SCHEMBL5716960 0.73 ALDH1A1 (0.33) LMNAHSD17B10FFAR3HDAC3HDAC1
SCHEMBL7135641 0.71 MEN1 (0.33) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL10412072 0.69 HDAC1 (0.36) LMNAHSD17B10FFAR3HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108948011-A A kind of preparation method of the sandy star in pula 华南农业大学 2018-12-07 CN claimed
CN-109796397-A A kind of preparation method of 3- acetylpyridine 浙江理工大学 2019-05-24 CN disclosed
CN-108948011-A A kind of preparation method of the sandy star in pula 华南农业大学 2018-12-07 CN disclosed
CN-106189493-A High adhesion force metallic printing ink and preparation method thereof 赵艳丽 2016-12-07 CN disclosed
CN-105980345-A Method for continuously producing ketomalonic acid compound using flow reactor 庵原化学工业株式会社 2016-09-28 CN disclosed