SCHEMBL15682452

SCHEMBL15682452

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)COC(=O)CCCC(C)=O)C[C@@H]3OC1CC(N)C(O)C(C)O1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.78
▸ THRB P10828 9/20 0.78
▸ KMT2A Q03164 9/20 0.78
▸ RECQL P46063 7/20 0.78
▸ BLM P54132 7/20 0.78
▸ BRCA1 P38398 6/20 0.78
▸ HIF1A Q16665 6/20 0.78
▸ SMN1; SMN2 Q16637 6/20 0.78
▸ TDP1 Q9NUW8 6/20 0.78
▸ MAPT P10636 6/20 0.78
▸ TOP2A P11388 4/20 0.78
▸ MAPK1 P28482 4/20 0.78
▸ STAT6 P42226 4/20 0.78
▸ HTT P42858 4/20 0.78
▸ CHRM1 P11229 3/20 0.78
▸ TBXA2R P21731 3/20 0.78
▸ KDM4E B2RXH2 3/20 0.78
▸ ALDH1A1 P00352 3/20 0.78
▸ ABCB1 P08183 3/20 0.78
▸ FYN P06241 2/20 0.78

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
SCHEMBL14524965 1.00 MEN1 (0.78) MEN1THRBKMT2ARECQLBLM
SCHEMBL16015696 0.96 MEN1 (0.80) MEN1THRBKMT2ARECQLBLM
SCHEMBL26387964 0.96 MEN1 (0.80) MEN1THRBKMT2ARECQLBLM
SCHEMBL12022418 0.96 MEN1 (0.79) MEN1THRBKMT2ARECQLBLM
SCHEMBL13675027 0.96 MEN1 (0.79) MEN1THRBKMT2ARECQLBLM
SCHEMBL17929839 0.95 MEN1 (0.78) MEN1THRBKMT2ARECQLBLM
SCHEMBL14867452 0.95 MEN1 (0.84) MEN1THRBKMT2ARECQLBLM
SCHEMBL15685031 0.94 MEN1 (0.72) MEN1THRBKMT2ARECQLBLM
SCHEMBL31237938 0.93 MEN1 (0.77) MEN1THRBKMT2ARECQLBLM
SCHEMBL10138466 0.93 MEN1 (0.81) MEN1THRBKMT2ARECQLBLM

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
US-8709998-B2 Peptide vectors IPSEN PHARMA S.A.S. (FR) 2014-04-29 — — US disclosed
Send feedback