SCHEMBL28969062

SCHEMBL28969062

CCCCCCNC(=O)C(Cc1ncc(-c2ccc(C(=O)O)cc2)o1)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 19/20 0.51
▸ SIRT1 Q96EB6 15/20 0.49
▸ SIRT3 Q9NTG7 13/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL28969059 1.00 SIRT2 (0.51) SIRT2SIRT1SIRT3MEN1ALDH1A1
SCHEMBL30306745 0.94 SIRT2 (0.49) SIRT2SIRT1SIRT3MEN1ALDH1A1
SCHEMBL30306910 0.92 SIRT2 (0.51) SIRT2SIRT1SIRT3MEN1ALDH1A1
SCHEMBL25023302 0.84 GRIA1 (0.47) —
SCHEMBL28969085 0.84 GRIA1 (0.47) —
SCHEMBL16601896 0.79 CTSL (0.67) SIRT2SIRT1SIRT3MEN1ALDH1A1
SCHEMBL28968977 0.79 RARB (0.42) —
SCHEMBL28968974 0.79 RARB (0.42) —
SCHEMBL6508639 0.79 ATM (0.47) ALDH1A1
SCHEMBL6254719 0.79 NPPA (0.52) —

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-115666553-A TLR2 modulator compounds, and pharmaceutical compositions and uses thereof 轴向治疗公司 2023-01-31 — — CN disclosed
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