SCHEMBL20081214

SCHEMBL20081214

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3OC1C[C@@H](NC(=O)OCc2ccc(NC=O)cc2)[C@@H](O)[C@@H](C)O1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.68
▸ KMT2A Q03164 8/20 0.68
▸ THRB P10828 7/20 0.68
▸ BLM P54132 6/20 0.68
▸ TOP2A P11388 5/20 0.68
▸ RECQL P46063 5/20 0.68
▸ TDP1 Q9NUW8 5/20 0.68
▸ HIF1A Q16665 4/20 0.68
▸ SMN1; SMN2 Q16637 4/20 0.68
▸ BRCA1 P38398 4/20 0.68
▸ HTT P42858 4/20 0.68
▸ CHRM1 P11229 3/20 0.68
▸ TBXA2R P21731 3/20 0.68
▸ PTGS1 P23219 3/20 0.68
▸ KDM4E B2RXH2 3/20 0.68
▸ ALDH1A1 P00352 3/20 0.68
▸ MAPT P10636 3/20 0.68
▸ MAPK1 P28482 3/20 0.68
▸ ABCB1 P08183 3/20 0.68
▸ FYN P06241 2/20 0.68

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
SCHEMBL16144564 0.94 MEN1 (0.70) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL2623847 0.94 MEN1 (0.70) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL2623850 0.94 MEN1 (0.70) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL17775538 0.93 MEN1 (0.71) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL2632461 0.93 MEN1 (0.71) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL22430759 0.93 MEN1 (0.73) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL16144207 0.92 MEN1 (0.68) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL2623852 0.92 MEN1 (0.72) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL24341972 0.91 MEN1 (0.65) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL17775622 0.89 MEN1 (0.64) MEN1KMT2ATHRBBLMTOP2A

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
EP-2470215-B1 BISPHOSPHONATE-PRODRUGS VERGELL MEDICAL S A (CH) 2018-04-25 — — EP disclosed
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