SCHEMBL7210256

SCHEMBL7210256

CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](C)O[C@H]1n1cc(I)c(NC(=O)OCCCOCc2ccccc2)nc1=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.46
LMNA P02545 1/20 0.44
ADK P55263 1/20 0.35
ACHE P22303 4/20 0.34
BCHE P06276 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8193476 1.00 NAAA (0.46) NAAALMNAADKACHEBCHE
SCHEMBL8193927 0.89 LMNA (0.49) NAAALMNAADKTDP1
SCHEMBL7205814 0.89 LMNA (0.49) NAAALMNAADKTDP1
SCHEMBL7206540 0.87 LMNA (0.58) NAAALMNAADK
SCHEMBL8192195 0.87 LMNA (0.58) NAAALMNAADK
SCHEMBL3821749 0.86 LMNA (0.56) LMNAADK
SCHEMBL8193747 0.85 LMNA (0.49) NAAALMNAADKTDP1
SCHEMBL7209654 0.85 LMNA (0.49) NAAALMNAADKTDP1
SCHEMBL3821461 0.85 LMNA (0.59) LMNAADKBCHETDP1
SCHEMBL8194020 0.85 LMNA (0.42) LMNAADKACHETDP1

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-1060183-B1 5'-DEOXYCYTIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed