SCHEMBL28993230

SCHEMBL28993230

[CH2][C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 7/20 0.45
▸ SIRT1 Q96EB6 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TLR2 O60603 3/20 0.45
▸ SIRT3 Q9NTG7 1/20 0.44
▸ MBOAT4 Q96T53 1/20 0.41
▸ CNR2 P34972 1/20 0.41

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
SCHEMBL3937776 0.87 SIRT2 (0.46) SIRT2SIRT1MEN1KMT2AALDH1A1
SCHEMBL3939473 0.87 SIRT2 (0.46) SIRT2SIRT1MEN1KMT2AALDH1A1
SCHEMBL3929242 0.87 SIRT2 (0.46) SIRT2SIRT1MEN1KMT2AALDH1A1
SCHEMBL3936777 0.87 SIRT2 (0.46) SIRT2SIRT1MEN1KMT2AALDH1A1
SCHEMBL3939841 0.87 SIRT2 (0.46) SIRT2SIRT1MEN1KMT2AALDH1A1
SCHEMBL3929753 0.87 SIRT2 (0.46) SIRT2SIRT1MEN1KMT2AALDH1A1
SCHEMBL3930451 0.87 SIRT2 (0.46) SIRT2SIRT1MEN1KMT2AALDH1A1
SCHEMBL3936778 0.87 SIRT2 (0.46) SIRT2SIRT1MEN1KMT2AALDH1A1
SCHEMBL2678812 0.85 SIRT2 (0.51) SIRT2SIRT1MEN1KMT2AALDH1A1
SCHEMBL10800241 0.82 MEN1 (0.52) SIRT2SIRT1MEN1KMT2AALDH1A1

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-116056721-A Adjuvants with TLR4 agonist activity 住友制药株式会社 2023-05-02 — — CN disclosed
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