SCHEMBL13620744

SCHEMBL13620744

CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc(NC=S)ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
MAPT P10636 2/20 0.68
HTT P42858 2/20 0.68
USP2 O75604 2/20 0.68
ALDH1A1 P00352 1/20 0.68
LMNA P02545 1/20 0.68
GSTP1 P09211 1/20 0.64
FTO Q9C0B1 10/20 0.54
CYP3A4 P08684 1/20 0.47
RECQL P46063 2/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
SMAD3 P84022 1/20 0.41
PRMT1 Q99873 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KCNH2 Q12809 1/20 0.40
DRD1 P21728 2/20 0.39

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
SCHEMBL13620666 0.87 MEN1 (0.69) MEN1KMT2AMAPTHTTUSP2
SCHEMBL23085041 0.86 MEN1 (0.72) MEN1KMT2AMAPTHTTUSP2
SCHEMBL20710600 0.82 FTO (0.68) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL20353147 0.82 MAPT (0.78) MEN1KMT2AMAPTHTTUSP2
Fluorescein Diacetate SCHEMBL31658971 0.81 MAPT (1.00) MEN1KMT2AMAPTHTTUSP2
Fluorescein Diacetate SCHEMBL1028369 0.81 MAPT (1.00) MEN1KMT2AMAPTHTTUSP2
Fluorescein Diacetate SCHEMBL29353816 0.81 MAPT (1.00) MEN1KMT2AMAPTHTTUSP2
Fluorescein Diacetate SCHEMBL29453229 0.81 MAPT (1.00) MEN1KMT2AMAPTHTTUSP2
SCHEMBL20353241 0.81 KMT2A (0.73) MEN1KMT2AMAPTHTTUSP2
SCHEMBL17970196 0.81 MAPT (0.61) MEN1KMT2AMAPTHTTUSP2

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-1204430-B1 CONJUGATES AND METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE FOR TRANSPORTING MOLECULES VIA BIOLOGICAL MEMBRANES SANOFI AVENTIS DEUTSCHLAND (DE) 2009-11-04 EP disclosed