SCHEMBL292703

SCHEMBL292703

CCC[C@@H]1C[C@@H]([C@@H](COCc2ccccc2)OS(C)(=O)=O)OC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G6 O60733 2/20 0.35
PLA2G4A P47712 1/20 0.35
PSMB11 A5LHX3 1/20 0.35
PSMD11 O00231 1/20 0.35
PSMD12 O00232 1/20 0.35
PSMD14 O00487 1/20 0.35
PSMA7 O14818 1/20 0.35
PSMD3 O43242 1/20 0.35
PSMC3 P17980 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMA1 P25786 1/20 0.35
PSMA2 P25787 1/20 0.35
PSMA3 P25788 1/20 0.35
PSMA4 P25789 1/20 0.35
PSMB8 P28062 1/20 0.35
PSMB9 P28065 1/20 0.35
PSMA5 P28066 1/20 0.35
PSMB4 P28070 1/20 0.35
PSMB6 P28072 1/20 0.35
PSMB5 P28074 1/20 0.35

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
SCHEMBL292761 0.88 PSMB11 (0.35) PSMB11PSMD11PSMD12PSMD14PSMA7
SCHEMBL293946 0.85 LMNA (0.36) PSMB11PSMD11PSMD12PSMD14PSMA7
SCHEMBL293552 0.82 HTT (0.42) PLA2G6PLA2G4APSMB11PSMD11PSMD12
SCHEMBL293554 0.82 HTT (0.42) PLA2G6PLA2G4APSMB11PSMD11PSMD12
SCHEMBL292669 0.82 LMNA (0.34) PSMB11PSMD11PSMD12PSMD14PSMA7
SCHEMBL292971 0.73 HTT (0.44) PSMB11PSMD11PSMD12PSMD14PSMA7
SCHEMBL4746432 0.72 LMNA (0.39) PSMB11PSMD11PSMD12PSMD14PSMA7
SCHEMBL3975996 0.70 PSMB11 (0.37) PSMB11PSMD11PSMD12PSMD14PSMA7
SCHEMBL292079 0.70 HTT (0.46) PSMB11PSMD11PSMD12PSMD14PSMA7
SCHEMBL6654165 0.68 TSHR (0.47) CA1CA2CA4CA7CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158790-B2 Cyclic amine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 US disclosed
EP-2036896-B1 CYCLIC AMINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2012-03-14 EP disclosed