SCHEMBL21593857

SCHEMBL21593857

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2CCc1cccc(N2CCOC(O[C@]4(CC)C(=O)OCc5c4cc4n(c5=O)Cc5c-4nc4cc6c(cc4c5CCc4ccc(N5CCCCC5C)c(F)c4)OCO6)C2)c1)OCO3

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 19/20 0.51
▸ SLC2A1 P11166 1/20 0.48

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
SCHEMBL24490150 0.87 TOP1 (0.63) TOP1SLC2A1
SCHEMBL21592055 0.80 TOP1 (0.69) TOP1SLC2A1
SCHEMBL23255529 0.80 TOP1 (0.68) TOP1SLC2A1
SCHEMBL23235256 0.80 TOP1 (0.68) TOP1SLC2A1
SCHEMBL23235261 0.79 TOP1 (0.67) TOP1SLC2A1
SCHEMBL21591951 0.79 TOP1 (0.71) TOP1SLC2A1
SCHEMBL24490052 0.76 TOP1 (0.65) TOP1SLC2A1
SCHEMBL21593872 0.75 TOP1 (0.71) TOP1SLC2A1
SCHEMBL23255589 0.75 TOP1 (0.73) TOP1SLC2A1
SCHEMBL23255710 0.75 TOP1 (0.72) TOP1SLC2A1

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
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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