SCHEMBL29077855

SCHEMBL29077855

COC(=O)N(CCOCCOCCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1)C(C)C)C1c2ccccc2-c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 6/20 0.36
▸ MAP1LC3B Q9GZQ8 2/20 0.35
▸ FAP Q12884 4/20 0.34
▸ SIRT2 Q8IXJ6 3/20 0.33
▸ SIRT1 Q96EB6 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KLKB1 P03952 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ F10 P00742 1/20 0.31

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
SCHEMBL29077857 0.88 MAP1LC3B (0.36) FURINMAP1LC3BFAPSIRT2SIRT1
SCHEMBL15699736 0.85 FURIN (0.40) FURINMAP1LC3BSIRT1SMN1; SMN2KLKB1
SCHEMBL19681567 0.84 FURIN (0.39) FURINMAP1LC3BFAPSMN1; SMN2KLKB1
SCHEMBL23880545 0.84 TLR2 (0.39) FURINMAP1LC3BFAP
SCHEMBL31035902 0.84 TLR2 (0.39) FURINMAP1LC3BFAP
SCHEMBL30509100 0.84 TLR2 (0.39) FURINMAP1LC3BFAP
SCHEMBL25787504 0.83 FURIN (0.40) FURINMAP1LC3BSIRT1SMN1; SMN2KLKB1
SCHEMBL84146 0.83 TLR2 (0.39) FURINMAP1LC3BFAP
SCHEMBL22138596 0.82 FURIN (0.39) FURINSMN1; SMN2KLKB1
SCHEMBL20705515 0.82 FURIN (0.39) FURINSMN1; SMN2KLKB1

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-118085100-A Camptothecin analogues conjugated to glutamine residues in proteins and uses thereof 瑞泽恩制药公司 2024-05-28 — — CN disclosed
CN-116390771-A Camptothecin analogues conjugated to glutamine residues in proteins and uses thereof 瑞泽恩制药公司 2023-07-04 — — CN disclosed
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