SCHEMBL2471025

SCHEMBL2471025

CCC(C)(CCC(=O)NCCOCCOCCOCCOCCOCCOc1cc(CO)cc(CO)c1)SSC

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.38
CNR2 P34972 15/20 0.38
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1742966 0.89 CNR1 (0.37) CNR1CNR2KDM4E
SCHEMBL1742605 0.89 CNR1 (0.37) CNR1CNR2KDM4E
SCHEMBL14454992 0.85 CNR1 (0.42) CNR1CNR2
SCHEMBL1744305 0.82 CNR1 (0.40) CNR1CNR2
SCHEMBL1743837 0.79 CNR1 (0.42) CNR1CNR2
SCHEMBL1742969 0.77 CNR1 (0.38) CNR1CNR2KDM4E
SCHEMBL1742613 0.77 CNR1 (0.38) CNR1CNR2KDM4E
SCHEMBL12161254 0.76 CNR1 (0.35) CNR1CNR2KDM4E
SCHEMBL2610807 0.76 CA12 (0.34) CNR1CNR2
SCHEMBL16299276 0.76 CA12 (0.34) CNR1CNR2

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-2371827-A1 Cytotoxic agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2011-10-05 EP disclosed