SCHEMBL29072123

SCHEMBL29072123

CC(C)(C)N(C(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)CCCNC(=O)OCc1ccccc1)C(CCCCN)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.54
CPB2 Q96IY4 1/20 0.54
FOLH1 Q04609 6/20 0.53
SIRT2 Q8IXJ6 4/20 0.49
SIRT1 Q96EB6 3/20 0.49
SIRT3 Q9NTG7 2/20 0.49
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
HTT P42858 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
SCHEMBL29072089 0.89 FOLH1 (0.63) CPB1CPB2FOLH1SIRT2SIRT1
SCHEMBL11202618 0.82 FOLH1 (0.67) CPB1CPB2FOLH1SIRT2SIRT1
SCHEMBL29072113 0.82 FOLH1 (0.64) FOLH1MMP2MMP9HTT
SCHEMBL29072081 0.80 FOLH1 (0.76) CPB1CPB2FOLH1SIRT2SIRT1
SCHEMBL29072085 0.80 FOLH1 (0.76) CPB1CPB2FOLH1SIRT2SIRT1
SCHEMBL22576833 0.79 CPB1 (0.56) CPB1CPB2FOLH1SIRT2SIRT1
SCHEMBL29072115 0.78 KLK7 (0.60) FOLH1CA1CA2HTT
SCHEMBL29072109 0.78 KLK7 (0.60) FOLH1CA1CA2HTT
SCHEMBL29072142 0.78 CA1 (0.64) FOLH1SIRT2SIRT1SIRT3CA1
SCHEMBL29072091 0.78 CA1 (0.64) FOLH1SIRT2SIRT1SIRT3CA1

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