SCHEMBL21591952

SCHEMBL21591952

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2C=Cc1ccc(N2CCCCC2)cc1)OCO3

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 19/20 0.66
▸ SLC2A1 P11166 1/20 0.59
▸ DDX5 P17844 1/20 0.58

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
SCHEMBL23235270 1.00 TOP1 (0.66) TOP1SLC2A1DDX5
SCHEMBL23235263 0.99 TOP1 (0.67) TOP1SLC2A1DDX5
SCHEMBL21591955 0.99 TOP1 (0.67) TOP1SLC2A1DDX5
SCHEMBL21591944 0.94 TOP1 (0.66) TOP1SLC2A1
SCHEMBL23235254 0.94 TOP1 (0.66) TOP1SLC2A1
SCHEMBL23235260 0.93 TOP1 (0.64) TOP1SLC2A1DDX5
SCHEMBL23235268 0.92 TOP1 (0.64) TOP1DDX5
SCHEMBL23235266 0.90 TOP1 (0.64) TOP1SLC2A1
SCHEMBL21591958 0.89 TOP1 (0.77) TOP1DDX5
SCHEMBL21593851 0.89 TOP1 (0.77) TOP1DDX5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110590796-B Camptothecin derivative and preparation method and application thereof 青岛海洋生物医药研究院股份有限公司 2022-07-15 — — CN disclosed
CN-110590796-A Camptothecin derivative and preparation method and application thereof 青岛海洋生物医药研究院股份有限公司 2019-12-20 — — CN disclosed
WO-2019238046-A1 CAMPTOTHECIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 青岛海洋生物医药研究院股份有限公司 2019-12-19 — — WO disclosed
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