SCHEMBL17404752

SCHEMBL17404752

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CCCC(=O)O)CC3O[C@H]1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)[C@H](C)O1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.72
▸ THRB P10828 8/20 0.72
▸ KMT2A Q03164 8/20 0.72
▸ HTT P42858 3/20 0.72
▸ LMNA P02545 2/20 0.72
▸ ABCC4 O15439 2/20 0.72
▸ ABCC2 Q92887 2/20 0.72
▸ ABCC3 O15438 1/20 0.72
▸ ABCB11 O95342 1/20 0.72
▸ CHN2 P52757 1/20 0.58
▸ PRKCD Q05655 1/20 0.58
▸ RECQL P46063 6/20 0.58
▸ BLM P54132 6/20 0.58
▸ TDP1 Q9NUW8 5/20 0.58
▸ HIF1A Q16665 5/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ BRCA1 P38398 5/20 0.58
▸ TOP2A P11388 4/20 0.58
▸ MAPT P10636 4/20 0.58
▸ MAPK1 P28482 4/20 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
SCHEMBL17404467 1.00 MEN1 (0.72) MEN1THRBKMT2AHTTLMNA
SCHEMBL17949135 0.99 MEN1 (0.72) MEN1THRBKMT2AHTTLMNA
SCHEMBL17928804 0.99 MEN1 (0.72) MEN1THRBKMT2AHTTLMNA
SCHEMBL17928783 0.98 MEN1 (0.71) MEN1THRBKMT2AHTTLMNA
SCHEMBL17929848 0.98 MEN1 (0.71) MEN1THRBKMT2AHTTLMNA
SCHEMBL17929840 0.98 MEN1 (0.71) MEN1THRBKMT2AHTTLMNA
SCHEMBL17929846 0.98 MEN1 (0.71) MEN1THRBKMT2AHTTLMNA
SCHEMBL17929844 0.98 MEN1 (0.71) MEN1THRBKMT2AHTTLMNA
SCHEMBL17929845 0.98 MEN1 (0.71) MEN1THRBKMT2AHTTLMNA
SCHEMBL9607884 0.97 MEN1 (0.70) MEN1THRBKMT2AHTTLMNA

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-2016004048-A2 TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF BLEND THERAPEUTICS, INC. (US) 2016-01-07 — — WO disclosed
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