SCHEMBL29078274

SCHEMBL29078274

CC(C)C(NC(=O)CCOCCNC(=O)OC(C)(C)C)C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.41
▸ CA1 P00915 4/20 0.41
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.38
▸ SDCBP O00560 1/20 0.38
▸ SDC2 P34741 1/20 0.38
▸ FURIN P09958 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAP1LC3B Q9GZQ8 1/20 0.35

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
SCHEMBL24297227 1.00 CA2 (0.41) CA2CA1MMP1MMP3MMP9
SCHEMBL29077879 0.89 FURIN (0.40) CA2CA1MMP1MMP3MMP9
SCHEMBL24297209 0.89 FURIN (0.40) CA2CA1MMP1MMP3MMP9
SCHEMBL25787504 0.88 FURIN (0.40) SIRT5FURINMAP1LC3B
SCHEMBL15699736 0.88 FURIN (0.40) SIRT5FURINMAP1LC3B
SCHEMBL12283259 0.88 CA2 (0.46) CA2CA1MMP1MMP3MMP9
SCHEMBL20158426 0.88 CA2 (0.46) CA2CA1MMP1MMP3MMP9
SCHEMBL14012279 0.88 CA2 (0.46) CA2CA1MMP1MMP3MMP9
SCHEMBL17902993 0.88 CA2 (0.46) CA2CA1MMP1MMP3MMP9
SCHEMBL13436625 0.88 CA2 (0.46) CA2CA1MMP1MMP3MMP9

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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