SCHEMBL542050

SCHEMBL542050

CCn1cc(OC(=O)O)c(=O)c2cc(F)c(N3CCC(COc4ccc(N5C[C@H](CO)OC5=O)cc4F)CC3)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 1/20 0.50
ALDH1A1 P00352 9/20 0.45
KDM4E B2RXH2 8/20 0.45
HPGD P15428 7/20 0.45
HSD17B10 Q99714 4/20 0.45
HTT P42858 4/20 0.45
LMNA P02545 3/20 0.45
BRD4 O60885 1/20 0.45
TSHR P16473 1/20 0.45
CYP2J2 P51589 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DRD3 P35462 1/20 0.42
PIK3CG P48736 1/20 0.41
GAA P10253 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL541319 0.92 TOP2B (0.54) TOP2BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL541403 0.92 TOP2B (0.54) TOP2BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL541349 0.90 KDM4E (0.44) TOP2BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL541114 0.86 KDM4E (0.42) TOP2BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL541790 0.86 KDM4E (0.42) TOP2BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL541378 0.83 KDM4E (0.54) TOP2BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL541348 0.83 KDM4E (0.54) TOP2BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL542133 0.81 KDM4E (0.40) TOP2BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL541789 0.80 KDM4E (0.51) TOP2BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL541113 0.80 KDM4E (0.51) TOP2BALDH1A1KDM4EHPGDHSD17B10

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-2086968-B1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-08 EP claimed