SCHEMBL16104166

SCHEMBL16104166

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3OC1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 6/20 0.68
PAX8 Q06710 5/20 0.68
HSP90AA1 P07900 4/20 0.68
MEN1 O00255 8/20 0.67
KMT2A Q03164 8/20 0.67
THRB P10828 7/20 0.67
BLM P54132 7/20 0.67
RECQL P46063 6/20 0.67
BRCA1 P38398 6/20 0.67
TOP2A P11388 5/20 0.67
TDP1 Q9NUW8 5/20 0.67
HIF1A Q16665 5/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
MAPT P10636 4/20 0.67
MAPK1 P28482 4/20 0.67
PTGS1 P23219 3/20 0.67
CHRM1 P11229 3/20 0.67
TBXA2R P21731 3/20 0.67
HTT P42858 3/20 0.67
KDM4E B2RXH2 3/20 0.67

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
SCHEMBL16104164 0.93 MEN1 (0.68) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL16900728 0.89 MEN1 (0.82) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL22667675 0.89 MEN1 (0.82) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL10239265 0.89 MEN1 (0.69) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL14703485 0.88 MEN1 (0.73) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL14706187 0.88 MEN1 (0.73) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL18751205 0.88 MEN1 (0.73) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL10455683 0.88 MEN1 (0.68) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL15472836 0.88 MEN1 (0.86) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL23295088 0.86 S100A4 (0.69) S100A4PAX8HSP90AA1MEN1KMT2A

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-2125026-B1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM INC (US) 2014-09-24 EP disclosed