SCHEMBL9775304

SCHEMBL9775304

CC(=O)O[C@@H]([C@H](OC(C)=O)[C@@H](COC(=N)C(Cl)(Cl)Cl)OC(C)=O)[C@H](C=O)OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
ABCB1 P08183 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
SCHEMBL28839149 0.92 TDP1 (0.53) TDP1POLBMAPK1ABCB1
SCHEMBL14661031 0.92 TDP1 (0.53) TDP1POLBMAPK1ABCB1
SCHEMBL4134092 0.92 TDP1 (0.53) TDP1POLBMAPK1ABCB1
SCHEMBL14661288 0.92 TDP1 (0.53) TDP1POLBMAPK1ABCB1
SCHEMBL421756 0.83 TDP1 (0.71) TDP1POLBMAPK1ABCB1
SCHEMBL29529175 0.83 TDP1 (0.71) TDP1POLBMAPK1ABCB1
SCHEMBL15653578 0.83 TDP1 (0.71) TDP1POLBMAPK1ABCB1
SCHEMBL13893402 0.83 TDP1 (0.71) TDP1POLBMAPK1ABCB1
SCHEMBL60713 0.83 TDP1 (0.71) TDP1POLBMAPK1ABCB1
SCHEMBL426635 0.83 TDP1 (0.71) TDP1POLBMAPK1ABCB1

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-111233951-A Preparation method of orcinol glucoside 中国科学院昆明植物研究所 2020-06-05 CN claimed
CN-111233951-A Preparation method of orcinol glucoside 中国科学院昆明植物研究所 2020-06-05 CN disclosed
US-5032518-A Immunoassay BOEHRINGER MANNHEIM GMBH (DE) 1991-07-16 US disclosed