SCHEMBL29072142

SCHEMBL29072142

COC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)CCCNC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
SIRT2 Q8IXJ6 2/20 0.64
SIRT1 Q96EB6 2/20 0.64
SIRT3 Q9NTG7 1/20 0.64
FOLH1 Q04609 4/20 0.63
HTT P42858 1/20 0.60
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54

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
SCHEMBL29072091 1.00 CA1 (0.64) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL29326176 0.96 CA1 (0.60) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL29072085 0.91 FOLH1 (0.76) SIRT2SIRT1FOLH1HTTMMP2
SCHEMBL29072081 0.91 FOLH1 (0.76) SIRT2SIRT1FOLH1HTTMMP2
SCHEMBL18348898 0.91 SIRT2 (0.72) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL15976615 0.90 CA1 (0.66) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL29072115 0.89 KLK7 (0.60) CA1CA2FOLH1HTT
SCHEMBL29072109 0.89 KLK7 (0.60) CA1CA2FOLH1HTT
SCHEMBL15253875 0.89 KLK7 (0.60) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL30823356 0.89 CA1 (0.60) CA1CA2SIRT2SIRT1SIRT3

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-116744944-A Low-immunogenicity biotherapeutic medicine 奥斯普瑞生物制药有限公司 2023-09-12 CN disclosed