SCHEMBL28469697

SCHEMBL28469697

CCCCCCC(Nc1ccccc1)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.47
HDAC8 Q9BY41 6/20 0.45
HDAC3 O15379 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
SIRT2 Q8IXJ6 5/20 0.45
SIRT1 Q96EB6 3/20 0.45
SIRT3 Q9NTG7 3/20 0.45
EPHX1 P07099 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL8706578 0.94 GAA (0.46) ACEHDAC8HDAC3HDAC6HDAC1
SCHEMBL28421312 0.92 SOAT2 (0.53) ACE
SCHEMBL28418972 0.88 POLB (0.50) ALDH1A1GAA
SCHEMBL18738256 0.85 HDAC8 (0.49) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL7572763 0.85 HDAC8 (0.49) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL28416132 0.85 MMP9 (0.47) GAA
SCHEMBL18265443 0.84 TAS1R3 (0.46) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL4668778 0.83 ALDH1A1 (0.48) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL5645144 0.82 MEN1 (0.46) ALDH1A1HTTGAA
SCHEMBL11032032 0.82 GAA (0.47) GAA

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
CN-111875544-B Synthesis method of N-substituted hydantoin compound 五邑大学 2022-04-08 CN disclosed
CN-111875544-A Synthesis method of N-substituted hydantoin compound 五邑大学 2020-11-03 CN disclosed